2020 to Date
| Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex Nature Chemical Biology 16 (1) (2020) 15-23 doi |
| B38-CAP is a bacteria-derived ACE2-like enzyme that suppresses hypertension and cardiac dysfunction Nature Communications 11 (1) (2020) 1058 doi |
| A predator-prey interaction between a marine Pseudoalteromonas sp. and Gram-positive bacteria Nature Communications 11 (1) (2020) 285 doi |
| The Indian cobra reference genome and transcriptome enables comprehensive identification of venom toxins Nature Genetics (2020) doi |
| Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133 Journal of Medicinal Chemistry (2020) doi |
| Computational Method for Structure-Based Analysis of SAR Transfer Journal of Medicinal Chemistry (2020) doi |
| Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery Journal of Medicinal Chemistry (2020) doi |
| Journeying Through the Field of Medicinal Chemistry: Perspectives from Graduate Researchers Journal of Medicinal Chemistry (2020) doi |
| Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity Journal of Medicinal Chemistry (2020) doi |
| Design, synthesis, and pharmacological evaluation of 4- or 6-phenyl-pyrimidine derivatives as novel and selective Janus kinase 3 inhibitors European Journal of Medicinal Chemistry 191 (2020) 112148 doi |
| Identification of tetracyclic lactams as NMDA receptor antagonists with potential application in neurological disorders European Journal of Medicinal Chemistry (2020) 112242 doi |
| Negative allosteric modulators of the GluN2B NMDA receptor with phenylethylamine structure embedded in ring-expanded and ring-contracted scaffolds European Journal of Medicinal Chemistry 190 (2020) 112138 doi |
| Ferrocene-containing hybrids as potential anticancer agents: Current developments, mechanisms of action and structure-activity relationships European Journal of Medicinal Chemistry 190 (2020) 112109 doi |
| Comparative analysis of the dual EGFR-DNA targeting and growth inhibitory properties of 6-mono-alkylamino- and 6,6-dialkylaminoquinazoline-based type II combi-molecules European Journal of Medicinal Chemistry (2020) 112185 doi |
| Discovery of pyrazole derivatives as cellular active inhibitors of histone lysine specific demethylase 5B (KDM5B/JARID1B) European Journal of Medicinal Chemistry (2020) 112161 |
| Pyrrolo and pyrrolopyrimidine sulfonamides act as cytotoxic agents in hypoxia via inhibition of transmembrane carbonic anhydrases European Journal of Medicinal Chemistry 188 (2020) 112021 doi |
| Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping European Journal of Medicinal Chemistry 187 (2020) 111941 doi |
| Recent advances in the development of ubiquitin-specific-processing protease 7 (USP7) inhibitors European Journal of Medicinal Chemistry (2020) 112107 doi |
| β-Lactams with antiproliferative and antiapoptotic activity in breast and chemoresistant colon cancer cells European Journal of Medicinal Chemistry (2020) 112050 doi |
| COVER: conformational oversampling as data augmentation for molecules Journal of Cheminformatics 12 (1) (2020) 18 doi |
| ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning Journal of Cheminformatics 12 (1) (2020) 16 doi |
| N-Phenethyl Substitution in 14-Methoxy-N-methylmorphinan-6-ones Turns Selective µ Opioid Receptor Ligands into Dual µ/δ Opioid Receptor Agonists Scientific Reports 10 (1) (2020) 5653 doi |
| Human PZP and common marmoset A2ML1 as pregnancy related proteins Scientific Reports 10 (1) (2020) 5088 doi |
| T-Cell Receptor Variable β Domains Rigidify During Affinity Maturation Scientific Reports 10 (1) (2020) 4472 doi |
| UHPLC-QTOF-MS/MS based phytochemical characterization and anti-hyperglycemic prospective of hydro-ethanolic leaf extract of Butea monosperma Scientific Reports 10 (1) (2020) 3530 doi |
| Evolved Fusarium oxysporum laccase expressed in Saccharomyces cerevisiae Scientific Reports 10 (1) (2020) 3244 doi |
| Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method Scientific Reports 10 (1) (2020) 2161 doi |
| Target protein-oriented isolation of Hes1 dimer inhibitors using protein based methods Scientific Reports 10 (1) (2020) 1381 doi |
| Sodium-induced population shift drives activation of thrombin Scientific Reports 10 (1) (2020) 1086 doi |
| Targeting Forward and Reverse EphB4/EFNB2 Signaling by a Peptide with Dual Functions Scientific Reports 10 (1) (2020) 520 doi |
| Experimental error, kurtosis, activity cliffs, and methodology: What limits the predictivity of QSAR models? Journal of Chemical Information and Modeling (2020) doi |
| Flexible fitting of small-molecules into electron microscopy maps using molecular dynamics simulations with Neural Network Potentials Journal of Chemical Information and Modeling (2020) doi |
| Structural Analysis and Identification of False Positive Hits in Luciferase-based Assays Journal of Chemical Information and Modeling (2020) doi |
| STACKED – Solvation Theory of Aromatic Complexes as Key for Estimating Drug binding Journal of Chemical Information and Modeling (2020) doi |
| Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate PXR Activation Journal of Chemical Information and Modeling (2020) doi |
| Structural stability predicts the binding mode of protein-ligand complexes Journal of Chemical Information and Modeling (2020) doi |
| Protein-Ligand Complex Solvation Thermodynamics: Development, Parameterization and Testing of GIST-based Solvent Functionals Journal of Chemical Information and Modeling (2020) doi |
| Discovery of thiazole-based-chalcones and 4-hetarylthiazoles as potent anticancer agents: Synthesis, docking study and anticancer activity Bioorganic Chemistry 98 (2020) 103761 doi |
| Uses of cyclohexane-1,3-dione for the synthesis of 1,2,4-triazine derivatives as anti-proliferative agents and tyrosine kinases inhibitors Bioorganic Chemistry 97 (2020) 103667 doi |
| Further insight into the dual COX-2 and 15-LOX anti-inflammatory activity of 1,3,4-thiadiazole-thiazolidinone hybrids: The contribution of the substituents at 5th positions is size dependent Bioorganic Chemistry 97 (2020) 103657 doi |
| Design, synthesis and biological evaluation of 2-alkoxycarbonyl-3-anilinoindoles as a new class of potent inhibitors of tubulin polymerization Bioorganic Chemistry 97 (2020) 103665 doi |
| Some 1,3,5-Trisubstituted Pyrazoline Derivatives Targeting Breast Cancer: Design, Synthesis, Cytotoxic activity, EGFR inhibition and Molecular docking Bioorganic Chemistry (2020) 103780 doi |
| The Rational Design, Synthesis, and Antimicrobial Investigation of 2-Amino-4-Methylthiazole Analogues Inhibitors of GlcN-6-P Synthase Bioorganic Chemistry (2020) 103781 doi |
| Synthesis, biological evaluation, and docking studies of new pyrazole-based thiourea and sulfonamide derivatives as inhibitors of nucleotide pyrophosphatase/phosphodiesterase Bioorganic Chemistry (2020) 103783 doi |
| Extending the use of tadalafil scaffold: development of novel selective phosphodiesterase 5 inhibitors and histone deacetylase inhibitors Bioorganic Chemistry (2020) 103742 doi |
| Design and Synthesis of some new 2,4,6-trisubstituted quinazoline EGFR inhibitors as targeted anticancer agents Bioorganic Chemistry (2020) 103726 doi |
| Synthesis, Anticancer Evaluation and Molecular Docking Studies of New Heterocycles Linked to Sulfonamide Moiety as Novel Human Topoisomerase Types I and II Poisons Bioorganic Chemistry (2020) 103725 doi |
| Tacrine-xanomeline and tacrine-iperoxo hybrid ligands: Synthesis and biological evaluation at acetylcholinesterase and M1 muscarinic acetylcholine receptors Bioorganic Chemistry 96 (2020) 103633 doi |
| Antimicrobial screening and pharmacokinetic profiling of novel phenyl-[1,2,4]triazolo[4,3-a]quinoxaline analogues targeting DHFR and E. coli DNA gyrase B Bioorganic Chemistry 96 (2020) 103656 doi |
| Design, synthesis, in vitro antimicrobial evaluation and molecular docking studies of indol-2-one tagged with morpholinosulfonyl moiety as DNA gyrase inhibitors Bioorganic Chemistry 96 (2020) 103619 doi |
| Design, synthesis and biological evaluation of novel 5,6,7-trimethoxy-N-aryl-2-styrylquinolin-4-amines as potential anticancer agents and tubulin polymerization inhibitors Bioorganic Chemistry (2020) 103711 doi |
| Bioactive bisbenzylisoquinoline alkaloids from the roots of Stephania tetrandra Bioorganic Chemistry (2020) 103697 doi |
| Design, green one-pot synthesis and molecular docking study of novel N,N-bis(cyanoacetyl)hydrazines and bis-coumarins as effective inhibitors of DNA gyrase and topoisomerase IV Bioorganic Chemistry (2020) 103672 doi |
| Synthesis of sulpha drug based hydroxytriazene derivatives: anti-diabetic, antioxidant, anti-inflammatory activity and their molecular docking studies Bioorganic Chemistry (2020) 103642 doi |
| Tsaokopyranols A–M, 2,6-epoxydiarylheptanoids from Amomum tsao-ko and their α-glucosidase inhibitory activity Bioorganic Chemistry (2020) 103638 doi |
| Synthesis of some N-aroyl-2-oxindole benzenesulfonamide conjugates with carbonic anhydrase inhibitory activity Bioorganic Chemistry (2020) 103635 doi |
| Novel Pyrazine Based Anti-tubercular Agents: Design, Synthesis, Biological Evaluation and In Silico Studies Bioorganic Chemistry (2020) 103610 doi |
| Structure-based design and optimization of pyrimidine- and 1,2,4-triazolo[4,3-a]pyrimidine-based matrix metalloproteinase-10/13 inhibitors via Dimroth rearrangement towards targeted polypharmacology Bioorganic Chemistry (2020) 103616 doi |
| Benzoxazole Derivatives as New Generation of Anti-breast Cancer Agents Bioorganic Chemistry (2020) 103593 doi |
| Design, synthesis and biological evaluation of erythrina derivatives bearing a 1,2,3-triazole moiety as PARP-1 inhibitors Bioorganic Chemistry (2020) 103575 doi |
| Synthesis, molecular docking and biological evaluation of 2-(thiophen-2-yl)-1H-indoles as potent HIV-1 non-nucleoside reverse transcriptase inhibitors Bioorganic Chemistry 95 (2020) 103521 doi |
| Synthesis and selective inhibitory effects of some 2-oxindole benzenesulfonamide conjugates on human carbonic anhydrase isoforms CA I, CA II, CA IX and CAXII Bioorganic Chemistry 95 (2020) 103514 doi |
| Improving the binding affinity estimations of protein–ligand complexes using machine-learning facilitated force field method Journal of Computer-Aided Molecular Design (2020) doi |
| Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach Journal of Computer-Aided Molecular Design (2020) doi |
| SAMPL6 logP challenge: machine learning and quantum mechanical approaches Journal of Computer-Aided Molecular Design (2020) doi |
| Conformational analysis of macrocycles: comparing general and specialized methods Journal of Computer-Aided Molecular Design (2020) doi |
| DNA-Binding and Anticancer Activity of Binuclear Gold(I) Alkynyl Complexes with a Phenanthrenyl Bridging Ligand Molecules 25 (5) (2020) doi |
| Metronidazole and Secnidazole Carbamates: Synthesis, Antiprotozoal Activity, and Molecular Dynamics Studies Molecules 25 (4) (2020) doi |
| Promising Terpenes as Natural Antagonists of Cancer: An In-Silico Approach Molecules 25 (1) (2020) doi |
| Prediction Model of Aryl Hydrocarbon Receptor Activation by a Novel QSAR Approach, DeepSnap–Deep Learning Molecules 25 (2020) 1317 doi |
| Targeting Receptor Tyrosine Kinase VEGFR-2 in Hepatocellular Cancer: Rational Design, Synthesis and Biological Evaluation of 1,2-Disubstituted Benzimidazoles Molecules 25 (4) (2020) doi |
| Oligomeric Procyanidin Nanoliposomes Prevent Melanogenesis and UV Radiation-Induced Skin Epithelial Cell (HFF-1) Damage Molecules 25 (6) (2020) doi |
| QSAR Model of Indeno[1,2-b]indole Derivatives and Identification of N-isopentyl-2-methyl-4,9-dioxo-4,9-Dihydronaphtho[2,3-b]furan-3-carboxamide as a Potent CK2 Inhibitor Molecules 25 (1) (2020) doi |
| Substituted N-(Pyrazin-2-yl)benzenesulfonamides; Synthesis, Anti-Infective Evaluation, Cytotoxicity, and In Silico Studies Molecules 25 (1) (2020) doi |
| N-Pyrazinoyl Substituted Amino Acids as Potential Antimycobacterial Agents—The Synthesis and Biological Evaluation of Enantiomers Molecules 25 (7) (2020) doi |
| Novel Peptide CM 7 Targeted c-Met with Antitumor Activity Molecules 25 (3) (2020) doi |
| Identifying Ortholog Selective Fragment Molecules for Bacterial Glutaredoxins by NMR and Affinity Enhancement by Modification with an Acrylamide Warhead Molecules 25 (1) (2020) doi |
| Synthesis, Biological Assessment, and Structure Activity Relationship Studies of New Flavanones Embodying Chromene Moieties Molecules 25 (3) (2020) doi |
| Towards an Understanding of the Mode of Action of Human Aromatase Activity for Azoles through Quantum Chemical Descriptors-Based Regression and Structure Activity Relationship Modeling Analysis Molecules 25 (3) (2020) doi |
| Synthesis and Biological Evaluation of Novel (thio)semicarbazone-Based Benzimidazoles as Antiviral Agents against Human Respiratory Viruses Molecules 25 (7) (2020) doi |
| AEDG Peptide (Epitalon) Stimulates Gene Expression and Protein Synthesis during Neurogenesis: Possible Epigenetic Mechanism Molecules 25 (3) (2020) doi |
| Structure-Based Virtual Screening and Biological Evaluation of Peptide Inhibitors for Polo-Box Domain Molecules 25 (1) (2020) doi |
| Novel, dual target-directed annelated xanthine derivatives acting on adenosine receptors and monoamine oxidase B ChemMedChem n/a (n/a) (2020) doi |
| Evaluating kratom alkaloids using PHASE PLOS ONE 15 (3) (2020) e0229646 doi |
| Synthesis and Biological Activities of Some New Benzotriazinone Derivatives Based on Molecular Docking; Promising HepG2 Liver Carcinoma Inhibitors ACS Omega (2020) doi |
| Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1 ACS Omega (2020) doi |
| Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites ACS Omega (2020) doi |
| Efficient Synthesis and Docking Studies of Novel Benzothiazole-Based Pyrimidinesulfonamide Scaffolds as New Antiviral Agents and Hsp90α Inhibitors ACS Omega (2020) doi |
| Novel pyrazolopyrimidine urea derivatives: Synthesis, antiproliferative activity, VEGFR-2 inhibition, and effects on the cell cycle profile Archiv der Pharmazie n/a (n/a) (2020) e1900319 doi |
| Design, synthesis, and molecular docking of novel 2-arylbenzothiazole multiangiokinase inhibitors targeting breast cancer Archiv der Pharmazie n/a (n/a) (2020) e1900340 doi |
| Synthesis and biological evaluation of pyrazolone analogues as potential anti-inflammatory agents targeting cyclooxygenases and 5-lipoxygenase Archiv der Pharmazie n/a (n/a) (2020) e1900308 doi |
| Synthesis, in-vitro and in-silico study of novel thiazoles as potent antibacterial agents and MurB inhibitors Archiv der Pharmazie n/a (n/a) (2020) e1900309 doi |
| rac- and meso-Cyclohexanoids: Their α-, β-glycosidases, antibacterial, antifungal activities, and molecular docking studies Archiv der Pharmazie n/a (n/a) (2020) e1900267 doi |
| Synthesis, characterization of some pyrazine derivatives as anti-cancer agents: In vitro and in Silico approaches Journal of Molecular Structure (2020) 128013 doi |
| Synthesis, characterization, crystal structure and evaluation of four carbazole-coumarin hybrids as multifunctional agents for the treatment of Alzheimer's disease Journal of Molecular Structure (2020) 127897 doi |
| Computational evaluation on the molecular conformation, vibrational spectroscopy, NBO analysis and molecular docking of betaxolol and betaxolol-chlorthalidone cocrystals Journal of Molecular Structure (2020) 127744 doi |
| Spectroscopic, crystal structural, theoretical and biological studies of phenylacetohydrazide Schiff base derivatives and their copper complexes Journal of Molecular Structure (2020) 127860 doi |
| Further Quantitative Structure–Cytotoxicity Relationship Analysis of 3-Styrylchromones Anticancer Research 40 (1) (2020) 87-95 doi |
| Discovery and Optimization of Triazine Nitrile Inhibitors of Toxoplasma gondii Cathepsin L for the Potential Treatment of Chronic Toxoplasmosis in the CNS ACS Chemical Neuroscience (2020) doi |
| Design and Combinatorial Development of Shield-1 Peptide Mimetics Binding to Destabilized FKBP12 ACS Combinatorial Science (2020) doi |
| Characterization of lead compounds targeting the selenoprotein thioredoxin glutathione reductase for treatment of schistosomiasis ACS Infectious Diseases (2020) doi |
| Phenolic Compounds from Morus nigra Regulate Viability and Apoptosis of Pancreatic β-Cells Possibly via SERCA Activity ACS Medicinal Chemistry Letters (2020) doi |
| Exploration of 5-cyano-6-phenylpyrimidin derivatives containing an 1,2,3-triazole moiety as potent FAD-based LSD1 inhibitors Acta Pharmaceutica Sinica B (2020) doi |
| Sequential Ag+/biothiol and synchronous Ag+/Hg2+ biosensing with zwitterionic Cu2+-based metal–organic frameworks Analyst (2020) doi |
| In silico maturation of affinity and selectivity of DNA aptamers against aflatoxin B1 for biosensor development Analytica Chimica Acta (2020) doi |
| Inhibition of herpes simplex virus by myricetin through targeting viral gD protein and cellular EGFR/PI3K/Akt pathway Antiviral Research 177 (2020) 104714 doi |
| Simultaneously Improved Thermostability and Hydrolytic Pattern of Alpha-Amylase by Engineering Central Beta Strands of TIM Barrel Applied Biochemistry and Biotechnology (2020) doi |
| Novel metal complexes of 3-acetylcoumarin-2-hydrazinobenzothiazole Schiff base: Design, structural characterizations, DNA binding, DFT calculations, molecular docking and biological studies Applied Organometallic Chemistry n/a (n/a) (2020) e5643 doi |
| Bis-dioxomolybdenum (VI) oxalyldihydrazone complexes: Synthesis, characterization, DFT studies, catalytic epoxidation potential, molecular modeling and biological evaluations Applied Organometallic Chemistry n/a (n/a) (2020) e5573 doi |
| Anti-hepatocellular carcinoma, antioxidant, anti-inflammation and antimicrobial investigation of some novel first and second transition metal complexes Applied Organometallic Chemistry n/a (n/a) (2020) e5432 doi |
| Synthesis, analytical and spectral characterization for new VO (II)-triazole complexes; conformational study beside MOE docking simulation features Applied Organometallic Chemistry n/a (n/a) (2020) e5505 doi |
| Tailoring of novel biologically active molecules based on N4-substituted sulfonamides bearing thiazole moiety exhibiting unique multi-addressable biological potentials Arabian Journal of Chemistry (2020) doi |
| An Asymmetric N-Rim Partially Substituted Calix[4]pyrrole: Its Affinity for Ag(I) and its Destruction by Hg(II) Arabian Journal of Chemistry (2020) doi |
| Cellular levels and molecular dynamics simulations of estragole DNA adducts point at inefficient repair resulting from limited distortion of the double-stranded DNA helix Archives of Toxicology (2020) doi |
| Novel PAK3 gene missense variant associated with two Chinese siblings with intellectual disability: a case report BMC Medical Genetics 21 (1) (2020) 31 doi |
| Importance of asparagine-381 and arginine-487 for substrate recognition in CYP4Z1 Biochemical Pharmacology (2020) 113850 doi |
| Calmodulin mutant in central linker reduces the binding affinity with PreIQ and IQ while interacting with CaV1.2 channels Biochemical and Biophysical Research Communications (2020) doi |
| Precise Probing of Residue Roles by NRPS Code Swapping: Mutation, Enzymatic Characterization, Modeling, and Substrate Promiscuity of Aryl Acid Adenylation Domains Biochemistry (2020) doi |
| Molecular dynamics simulation study of AG10 and tafamidis binding to the Val122Ile transthyretin variant Biochemistry and Biophysics Reports 21 (2020) 100721 doi |
| Polyamines and its analogue modulates amyloid fibrillation in lysozyme: A comparative investigation Biochimica et Biophysica Acta (BBA) 1864 (5) (2020) 129557 doi |
| Discovery of multidrug efflux pump inhibitors with a novel chemical scaffold Biochimica et Biophysica Acta (BBA) (2020) 129546 doi |
| Characterization of pyranose oxidase variants for bioelectrocatalytic applications Biochimica et Biophysica Acta (BBA) 1868 (2) (2020) 140335 doi |
| The enhancement of salt stress tolerance by salicylic acid pretreatment in Arabidopsis thaliana Biologia plantarum 64 (1) (2020) 150-158 doi |
| From in-silico to Experimental Validation: Tailoring Peptide Substrates for a Serine Protease Biomacromolecules (2020) doi |
| Structure-Based Virtual Screening of Pseudomonas aeruginosa LpxA Inhibitors Using Pharmacophore-Based Approach Biomolecules 10 (2) (2020) doi |
| Comparative Structural Analysis of Different Mycobacteriophage-Derived Mycolylarabinogalactan Esterases (Lysin B) Biomolecules 10 (1) (2020) doi |
| Haematoxylon campechianum Extract Ameliorates Neuropathic Pain via Inhibition of NF-κB/TNF-α/NOX/iNOS Signalling Pathway in a Rat Model of Chronic Constriction Injury Biomolecules 10 (3) (2020) doi |
| Optimization and biological evaluation of imidazopyridine derivatives as a novel scaffold for γ-secretase modulators with oral efficacy against cognitive deficits in Alzheimer’s disease model mice Bioorganic & Medicinal Chemistry (2020) 115455 doi |
| New acrylamide-sulfisoxazole conjugates as dihydropteroate synthase inhibitors Bioorganic & Medicinal Chemistry (2020) 115444 doi |
| Interruption of Vif/Elongin C interaction: In silico and experimental elucidation of the underlying molecular mechanism of benzimidazole-based APOBEC3G stabilizers Bioorganic & Medicinal Chemistry (2020) 115409 doi |
| Rational modifications, synthesis and biological evaluation of new potential antivirals for RSV designed to target the M2-1 protein Bioorganic & Medicinal Chemistry (2020) 115401 doi |
| Novel class of benzimidazole-thiazole hybrids: The privileged scaffolds of potent anti-inflammatory activity with dual inhibition of cyclooxygenase and 15-lipoxygenase enzymes Bioorganic & Medicinal Chemistry (2020) 115403 doi |
| Ligand-Based Design of GLUT Inhibitors as Potential Antitumor Agents Bioorganic & Medicinal Chemistry (2020) 115395 doi |
| Synthesis, biological evaluation and molecular modeling study of [1,2,4]-Triazolo[4,3-c]quinazolines: New class of EGFR-TK inhibitors Bioorganic & Medicinal Chemistry (2020) 115373 doi |
| New Thiopyrimidine-Benzenesulfonamide Conjugates as Selective Carbonic Anhydrase II Inhibitors: Synthesis, in vitro Biological Evaluation, and Molecular Docking Studies Bioorganic & Medicinal Chemistry (2020) 115329 doi |
| VEGFR-2 inhibiting effect and molecular modeling of newly synthesized coumarin derivatives as anti-breast cancer agents Bioorganic & Medicinal Chemistry (2020) 115328 doi |
| New 8-amino-1,2,4-triazolo[4,3-a]pyrazin-3-one derivatives. Evaluation of different moieties on the 6-aryl ring to obtain potent and selective human A2A adenosine receptor antagonists Bioorganic & Medicinal Chemistry Letters (2020) 127126 doi |
| Study on structure-activity relationship of vitamin K derivatives: conversion of the naphthoquinone part into another aromatic ring and evaluation of their neuronal differentiation-inducing activity Bioorganic & Medicinal Chemistry Letters (2020) 127059 doi |
| A Novel Series of Cysteine-Dependent, Allosteric Inverse Agonists of the Nuclear Receptor RORγt Bioorganic & Medicinal Chemistry Letters (2020) 126967 doi |
| Physiological and morphological responses and tolerance mechanisms of Isochrysis galbana to Cr(VI) stress Bioresource Technology (2020) 122860 doi |
| In vitro and in silico antioxidant and antiproliferative activity of rhizospheric fungus Talaromyces purpureogenus isolate-ABRF2 Bioresources and Bioprocessing 7 (1) (2020) 14 doi |
| Biochemical characterization and structural insights into the high substrate affinity of a dimeric and Ca2+ independent Bacillus subtilis α-amylase Biotechnology Progress n/a (n/a) (2020) e2964 doi |
| Impact of enzymatic reduction on bivalent bispecific antibody fragmentation and loss of product purity upon reoxidation Biotechnology and Bioengineering n/a (n/a) (2020) doi |
| Platelet glycoprotein VI promotes metastasis through interaction with cancer cell-derived Galectin-3 Blood (2020) doi |
| Gilteritinib is a clinically active FLT3 inhibitor with broad activity against FLT3 kinase domain mutations Blood Advances 4 (3) (2020) 514-524 doi |
| Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions Briefings in Bioinformatics (2020) doi |
| Identification of endogenous 1-aminopyrene as a novel mediator of progressive chronic kidney disease via aryl hydrocarbon receptor activation British Journal of Pharmacology n/a (n/a) (2020) doi |
| Ab initio fragment molecular orbital-based molecular dynamics (FMO-MD) simulations of (NH3)32 cluster: effects of electron correlation Bulletin of the Chemical Society of Japan (2020) doi |
| Metabolism and pharmacokinetics characterization of metarrestin in multiple species Cancer Chemotherapy and Pharmacology (2020) doi |
| TNFAIP8 regulates autophagy, cell steatosis, and promotes hepatocellular carcinoma cell proliferation Cell Death & Disease 11 (3) (2020) 178 doi |
| Phenotypic high-throughput screening platform identifies novel chemotypes for necroptosis inhibition Cell Death Discovery 6 (1) (2020) 6 doi |
| Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody Cell Host & Microbe (2020) doi |
| Discovery of 3,5-Dimethylpyridin-4(1H)-one Derivatives as Activators of AMP-Activated Protein Kinase (AMPK) Chem. Pharm. Bull. 68 (2020) 77-90 doi |
| A modified Arrhenius approach to thermodynamically study regioselectivity in Cytochrome P450 catalyzed substrate conversion ChemBioChem n/a (n/a) (2020) doi |
| Water envelope has a critical impact on the design of protein–protein interaction inhibitors Chemical Communications (2020) doi |
| Probing Host-Guest Inclusion Complexes of Ambroxol Hydrochloride with α- & β-Cyclodextrins by Physicochemical Contrivance Subsequently Optimized by Molecular Modeling Simulations Chemical Physics Letters (2020) 137372 doi |
| Multifunctional memantine nitrate significantly protects against glutamate-induced excitotoxicity via inhibiting calcium influx and attenuating PI3K/Akt/GSK3beta pathway Chemico-Biological Interactions (2020) 109020 |
| Novel N-Acyl-1H-imidazole-1-carbothioamides: Design, Synthesis, Biological and Computational studies Chemistry & Biodiversity n/a (n/a) (2020) doi |
| New Acetohydrazides Incorporating 2-Oxoindoline and 4-Oxoquinazoline: Synthesis and Evaluation of Cytotoxicity and Caspase Activation Activity Chemistry & Biodiversity n/a (n/a) (2020) doi |
| Solution conformations explain the chameleonic behaviour of macrocyclic drugs Chemistry – A European Journal n/a (n/a) (2020) doi |
| The crucial role of metabolic regulation in differential hepatotoxicity induced by furanoids in Dioscorea bulbifera Chinese Journal of Natural Medicines 18 (1) (2020) 57-69 doi |
| Synaptamide activates the adhesion GPCR GPR110 (ADGRF1) through GAIN domain binding Communications Biology 3 (1) (2020) 109 doi |
| Design, Synthesis and Biological Evaluation of New HDAC1 and HDAC2 Inhibitors Endowed with Ligustrazine as a Novel Cap Moiety Drug Des Devel Ther. 14 (2020) 497-508 doi |
| Canagliflozin impairs blood reperfusion of ischaemic lower limb partially by inhibiting the retention and paracrine function of bone marrow derived mesenchymal stem cells EBioMedicine 52 (2020) 102637 doi |
| In vitro toxicity and molecular interacting mechanisms of chloroacetic acid to catalase Ecotoxicology and Environmental Safety 189 (2020) 109981 doi |
| Enantioselectivity in transplacental transfer of perfluoro-1-methylheptanesulfonate (1m-PFOS): Human biomonitoring and in silico study Environmental Pollution 261 (2020) 114136 doi |
| Studies of Emission Processes of Polymer Additives into Water using Quartz Crystal Microbalance – a Case Study on Organophosphate Esters Environmental Science & Technology (2020) doi |
| Preparation and mechanistic studies of 2-substituted Bisthiazolidines by imine exchange European Journal of Organic Chemistry n/a (n/a) (2020) doi |
| Jujuboside B promotes the death of acute leukemia cell in a RIPK1/RIPK3/MLKL pathway-dependent manner European Journal of Pharmacology 876 (2020) 173041 doi |
| Arctiin protects rat heart against ischemia/reperfusion injury via a mechanism involving reduction of necroptosis European Journal of Pharmacology 875 (2020) 173053 doi |
| 6-Methoxyflavanone abates cisplatin-induced neuropathic pain apropos anti-inflammatory mechanisms: A behavioral and molecular simulation study European Journal of Pharmacology 872 (2020) 172972 doi |
| Discovery of a novel niacin-lipoic acid dimer N2L attenuating atherosclerosis and dyslipidemia with non-flushing effects European Journal of Pharmacology 868 (2020) 172871 doi |
| Acid vacuolar invertase 1 (PbrAc-Inv1) and invertase inhibitor 5 (PbrII5) were involved in sucrose hydrolysis during postharvest pear storage Food Chemistry 320 (2020) 126635 doi |
| A deep insight into mechanism for inclusion of 2R,3R-dihydromyricetin with cyclodextrins and the effect of complexation on antioxidant and lipid-lowering activities Food Hydrocolloids 103 (2020) 105718 doi |
| Ectopic suicide inhibition of thioredoxin glutathione reductase Free Radical Biology and Medicine 147 (2020) 200-211 doi |
| In silico Docking Studies of Fingolimod and S1P1 Agonists Frontiers in Pharmacology 11 (2020) 247 doi |
| New thiazole, pyridine and pyrazole derivatives as antioxidant candidates: synthesis, DFT calculations and molecular docking study Heliyon 6 (1) (2020) e03185 doi |
| Molecular dynamics simulations of copper binding to amyloid-β Glu22 mutants Heliyon 6 (1) (2020) e03071 doi |
| Appraisal of disease-modifying potential of amlodipine as an anti-arthritic agent: new indication for an old drug Inflammopharmacology (2020) doi |
| Discovery of Small-Molecule Activators for Glucose-6-Phosphate Dehydrogenase (G6PD) Using Machine Learning Approaches International Journal of Molecular Sciences 21 (4) (2020) doi |
| Synthesis, Anticancer Evaluation and Structure-Activity Analysis of Novel (E)- 5-(2-Arylvinyl)-1,3,4-oxadiazol-2-yl)benzenesulfonamides International Journal of Molecular Sciences 21 (6) (2020) doi |
| Recent Advances in Plant Chemical Biology of Jasmonates International Journal of Molecular Sciences 21 (3) (2020) doi |
| Design, Synthesis, and Biological Evaluation of Two Series of Novel A-Ring Fused Steroidal Pyrazines as Potential Anticancer Agents International Journal of Molecular Sciences 21 (5) (2020) doi |
| The Impact of Natural Compounds on S-Shaped Aβ42 Fibril: From Molecular Docking to Biophysical Characterization International Journal of Molecular Sciences 21 (6) (2020) doi |
| Elucidation of Molecular Mechanism of a Selective PPARα Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations International Journal of Molecular Sciences 21 (1) (2020) doi |
| Structural modification of a novel inhibitor for mycobacterium enoyl-acyl carrier protein reductase assisted by In silico structure-based drug screening International Journal of Mycobacteriology 9 (1) (2020) 12-17 doi |
| In Silico Modeling of Crimean Congo Hemorrhagic Fever Virus Glycoprotein-N and Screening of Anti Viral Hits by Virtual Screening International Journal of Peptide Research and Therapeutics (2020) doi |
| Effect of sodium deoxycholate sulfate on outer membrane permeability and neutralization of bacterial lipopolysaccharides by polymyxin B formulations International Journal of Pharmaceutics 581 (2020) 119265 doi |
| Towards an Improved Understanding of Drug Excipient Interactions to Enable Rapid Optimization of Nanosuspension Formulations International Journal of Pharmaceutics (2020) 119094 doi |
| Characterization of guaiene synthases from Stellera chamaejasme L. flowers and their application in de novo production of (-)-rotundone in yeast Journal of Agricultural and Food Chemistry (2020) doi |
| In silico and in vitro assay of Hexagamavunon-6 analogs, Dibenzilyden-N-Methyl-4-piperidone as antibacterial agents Journal of Applied Pharmaceutical Science 10 (2020) 39-43 doi |
| Molecular Dynamics Simulations of Copper Binding to N-terminus Mutants of Amyloid-β Journal of Biomolecular Structure and Dynamics (2020) 1-16 doi |
| Fucosterol from Sargassum horridum as an amyloid-beta (Aβ1-42) aggregation inhibitor: in vitro and in silico studies Journal of Biomolecular Structure and Dynamics (2020) 1-13 doi |
| Computer-aided screening for Suppressor of variegation 4-20 homolog 1 inhibitors and their preliminary activity validation in human osteosarcoma Journal of Biomolecular Structure and Dynamics (2020) 1-18 doi |
| Design, synthesis, and antitumor activity of novel benzoheterocycle derivatives as inhibitors of vascular endothelial growth factor receptor-2 tyrosine kinase Journal of Chemical Research (2020) 1747519819899067 doi |
| Characterising Inter-helical Interactions of G Protein-Coupled Receptors with the Fragment Molecular Orbital Method Journal of Chemical Theory and Computation (2020) doi |
| Immobilized angiotensin II type I receptor: A powerful method of high throughput screening for antihypentensive compound identification through binding interaction analysis Journal of Chromatography A (2020) 461003 doi |
| The effect of pH on antibody retention in multimodal cation exchange chromatographic systems Journal of Chromatography A (2020) 460838 doi |
| Molecular modeling of the multiple-drug resistant protein (MRP7) Journal of Computational Chemistry & Molecular Modeling 4 (2020) 328-342 doi |
| Matrix Metalloproteinase 13 Activity is Required for Normal and Hypoxia-Induced Precocious Hatching in Zebrafish Embryos Journal of Developmental Biology 8 (1) (2020) doi |
| Development and evaluation of polymeric nanocapsules for cirsiliol isolated from Jordanian Teucrium polium L. as a potential anticancer nanomedicine Journal of Drug Delivery Science and Technology 56 (2020) 101544 doi |
| Design, synthesis and evaluation of quinolinone derivatives containing dithiocarbamate moiety as multifunctional AChE inhibitors for the treatment of Alzheimer’s disease Journal of Enzyme Inhibition and Medicinal Chemistry 35 (1) (2020) 118-128 doi |
| Synthesis and biological evaluation of novel (E)-N'-benzylidene hydrazides as novel c-Met inhibitors through fragment based virtual screening Journal of Enzyme Inhibition and Medicinal Chemistry 35 (1) (2020) 468-477 doi |
| Cytotoxicity of perfluorodecanoic acid on mouse primary nephrocytes through oxidative stress: Combined analysis at cellular and molecular levels Journal of Hazardous Materials (2020) 122444 doi |
| Synthesis of novel bis- and poly(benzimidazoles) as well as bis- and poly(benzothiazoles) as anticancer agents Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Molecular docking and biological assessment of substituted phthalazin-1(2H)-one derivatives Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Eco-friendly synthesis of novel pyrimidine derivatives as potential anticancer agents Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Construction of hybrid DNAs@CP for the rapid synchronous sensing of multiplex microRNAs based on experimental studies and molecular simulation Journal of Inorganic Biochemistry (2020) 111076 doi |
| User guide for the discovery of potential drugs via protein structure prediction and ligand docking simulation Journal of Microbiology 58 (3) (2020) 235-244 doi |
| A structural basis for restricted codon recognition mediated by 2-thiocytidine in tRNA containing a wobble position inosine Journal of Molecular Biology (2020) doi |
| The electrochemical properties and PIM1 kinase enzyme inhibition of some 2-(hydroxy phenyl amino) naphthalene-1,4-dione derivatives Journal of Molecular Liquids (2020) 112874 doi |
| Potential Antidiabetic Fumiquinazoline Alkaloids from the Marine-Derived Fungus Scedosporium apiospermum F41-1 Journal of Natural Products (2020) doi |
| Talauxins: Hybrid Phenalenone Dimers from Talaromyces stipitatus Journal of Natural Products (2020) doi |
| l-Phenylalanine Alters the Privileged Secondary Metabolite Production in the Marine-Derived Fungus Trichoderma erinaceum F1-1 Journal of Natural Products (2020) doi |
| Metal complexes of ferrocenyl-substituted Schiff base: Preparation, characterization, molecular structure, molecular docking studies, and biological investigation Journal of Organometallic Chemistry (2020) 121113 doi |
| Combination of HDX-MS and in silico modeling to study enzymatic reactivity and stereo-selectivity at different solvent conditions Journal of Pharmaceutical and Biomedical Analysis (2020) 113141 doi |
| Tetra-cationic platinum(II) porphyrins like a candidate photosensitizers to bind, selective and drug delivery for metastatic melanoma Journal of Photochemistry and Photobiology B: Biology 202 (2020) 111725 doi |
| Discovery of novel drug candidates based on herbaric acid derivates as potential inhibitors of the hedgehog signaling pathway in cervical cancer therapeutics Journal of Physics: Conference Series 1442 (2020) 012052 doi |
| Nonionic Isatin Surfactants: Synthesis, Quantum Chemical Calculations, ADMET and Their Antimicrobial Activities Journal of Surfactants and Detergents n/a (n/a) (2020) doi |
| Sequence-specific Quantitation of Mutagenic DNA damage via Polymerase Amplification with an Artificial Nucleotide Journal of the American Chemical Society (2020) doi |
| Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking Journal of the American Chemical Society (2020) doi |
| Production of TRPV2-targeting functional antibody ameliorating dilated cardiomyopathy and muscular dystrophy in animal models Laboratory Investigation (2020) doi |
| Design and synthesis of N‑(benzylpiperidinyl)‑4‑fluorobenzamide: A haloperidol analog that reduces neuropathic nociception via σ1 receptor antagonism Life Sciences (2020) 117348 doi |
| Elucidation of a Unique Pattern and the Role of Carbohydrate Binding Module of an Alginate Lyase Marine Drugs 18 (1) (2020) doi |
| Manganese (II), ferric (III), cobalt (II) and copper (II) thiosemicarbazone Schiff base complexes: Synthesis, spectroscopic, molecular docking and biological discussions Materials Express 10 (2) (2020) 290-300 doi |
| Isocyanate-terminated urethane-based methacrylate for in situ collagen scaffold modification Materials Science and Engineering: C (2020) 110902 doi |
| A new pimarane-type diterpene obtained by biotransformation inhibits human HCT-116 colorectal carcinoma through inhibition of LTA4H activity Medicinal Chemistry Research (2020) doi |
| The fine art of preparing membrane transport proteins for biomolecular simulations: concepts and practical considerations Methods (2020) doi |
| Biophysical classification of a CACNA1D de novo mutation as a high-risk mutation for a severe neurodevelopmental disorder Molecular Autism 11 (1) (2020) 4 doi |
| Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides Molecular Diversity (2020) doi |
| Prediction model of human ABCC2/MRP2 efflux pump inhibitors: a QSAR study Molecular Diversity (2020) doi |
| Using machine learning methods and structural alerts for prediction of mitochondrial toxicity Molecular Informatics n/a (n/a) (2020) doi |
| The effects of pH on the structure and bioavailability of imidazobenzodiazepine-3-carboxylate MIDD0301 Molecular Pharmaceutics (2020) doi |
| Computational design and clinical demonstration of a copper nanocluster based universal immunosensor for sensitive diagnostics Nanoscale Advances (2020) doi |
| Bi-metallic Ag/Cu incorporated into chemically exfoliated MoS2 nanosheets to enhance antibacterial potential: insilico molecular docking studies Nanotechnology (2020) doi |
| A crucial RNA-binding lysine residue in the Nab3 RRM domain undergoes SET1 and SET3-responsive methylation Nucleic Acids Research (2020) doi |
| Computational design of substrate selective inhibition PLOS Computational Biology 16 (3) (2020) e1007713 doi |
| Biological activity of esters of quinoxaline-7-carboxylate 1,4-di-N-oxide against E. histolytica and their analysis as potential thioredoxin reductase inhibitors Parasitology Research (2020) doi |
| Synthesis and biological evaluation of small molecule modulators of CDK8/Cyclin C complex with phenylaminoquinoline scaffold PeerJ 8 (2020) e8649 doi |
| Design, synthesis and evaluation of E2-25K derived stapled peptides Peptide Science n/a (n/a) (2020) e24158 doi |
| Three New Cholinesterase Inhibitory Cassioates from Cassia Fistula Pharmaceutical Chemistry Journal (2020) doi |
| Design, Synthesis and Biochemical Evaluation of Novel Ethanoanthracenes and Related Compounds to Target Burkitt’s Lymphoma Pharmaceuticals 13 (1) (2020) doi |
| Improved Surface Display of Human Hyal1 and Identification of Testosterone Propionate and Chicoric Acid as New Inhibitors Pharmaceuticals 13 (4) (2020) doi |
| Antiproliferative Activity of Secondary Metabolites from Zanthoxylum zanthoxyloides Lam: In vitro and in silico Studies Pharmacognosy Communications 10 (1) (2020) doi |
| Deep-learning- and pharmacophore-based prediction of RAGE inhibitors Physical Biology (2020) doi |
| Hyperelodiones A-C, monoterpenoid polyprenylated acylphoroglucinols from Hypericum elodeoides, induce cancer cells apoptosis by targeting RXRα Phytochemistry 170 (2020) 112216 doi |
| Synthesis and characterization of a hydrogen bonded metal-organic cocrystal: exploration of its DNA binding study Polyhedron (2020) 114454 doi |
| Involvement of Nrf2 and Keap1 in the Activation of Antioxidant Responsive Element (ARE) by Chemopreventive Agent Peptides from Soft-shelled Turtle Process Biochemistry (2020) doi |
| Computer-guided library generation applied to the optimization of single-domain antibodies Protein Engineering, Design and Selection (2020) doi |
| Antibody humanization—the Influence of the antibody framework on the CDR-H3 loop ensemble in solution Protein Engineering, Design and Selection (2020) doi |
| VH-VL interdomain dynamics observed by computer simulations and NMR Proteins: Structure, Function, and Bioinformatics n/a (n/a) (2020) doi |
| Sphingosine-1-phosphate receptor-independent lung endothelial cell barrier disruption induced by FTY720 regioisomers Pulmonary Circulation 10 (1) (2020) 10.1177_2045894020905521 doi |
| EXPRESS: S1P Receptor-Independent Lung Endothelial Cell Barrier Disruption Induced by FTY720 Regioisomers Pulmonary Circulation (2020) 2045894020905521 doi |
| Molecular modeling provides a structural basis for PERK inhibitor selectivity towards RIPK1 RSC Advances 10 (1) (2020) 367-375 doi |
| Saccharomonosporine A inspiration; synthesis of potent analogues as potential PIM kinase inhibitors RSC Advances 10 (12) (2020) 6752-6762 doi |
| Triple-negative breast cancer suppressive activities, antioxidants and pharmacophore model of new acylated rhamnopyranoses from Premna odorata RSC Advances 10 (18) (2020) 10584-10598 doi |
| Design, synthesis, and biological evaluation of novel arylcarboxamide derivatives as anti-tubercular agents RSC Advances 10 (13) (2020) 7523-7540 doi |
| Synthetic inhibitor leads of human tropomyosin receptor kinase A (hTrkA) RSC Medicinal Chemistry (2020) doi |
| Identification of S419 on human serum albumin as a novel biomarker for sarin and cyclosarin exposure Rapid Communications in Mass Spectrometry n/a (n/a) (2020) e8721 doi |
| The Molecular Docking of Flavonoids Isolated from Daucus carota as a Dual Inhibitor of MDM2 and MDMX Recent Patents on Anti-Cancer Drug Discovery 15 (2020) 1-1 doi |
| Sesquiterpene Coumarins from Ferula narthex 15-LOX, α-Glucosidase Inhibition and Molecular Docking Studies Revista Brasileira de Farmacognosia (2020) doi |
| Spectroscopic and molecular docking studies reveal binding characteristics of nazartinib (EGF816) to human serum albumin Royal Society Open Science 7 (1) (2020) 191595 doi |
| Bioassay-guided isolation of anti-hepatitis B virus flavonoid myricetin-3-O-rhamnoside along with quercetin from Guiera senegalensis leaves Saudi Pharmaceutical Journal (2020) doi |
| Formulation and Evaluation of Cyclodextrin-Based Nanosponges of Griseofulvin as Pediatric Oral Liquid Dosage Form for Enhancing Bioavailability and Masking Bitter Taste Saudi Pharmaceutical Journal (2020) doi |
| Design of an in vitro biocatalytic cascade for the manufacture of islatravir Science 366 (6470) (2019) 1255 doi |
| Monitoring the Heavy Metal Lead Inside Living Drosophila with a FRET-Based Biosensor Sensors 20 (6) (2020) doi |
| A DNAzyme-rGO coupled fluorescence assay for T4PNK activity in vitro and intracellular imaging Sensors and Actuators B: Chemical (2020) 127884 doi |
| Parathyroid Hormone Derivative with Reduced Osteoclastic Activity Promoted Bone Regeneration via Synergistic Bone Remodeling and Angiogenesis Small n/a (n/a) (2020) 1905876 doi |
| Metabolic profiling, histopathological anti-ulcer study, molecular docking and molecular dynamics of ursolic acid isolated from Ocimum forskolei Benth. (family Lamiaceae) South African Journal of Botany 131 (2020) 311-319 doi |
| A comprehensive study on narcissus tazetta subsp. tazetta L.: Chemo-profiling, isolation, anticholinesterase activity and molecular docking of amaryllidaceae alkaloids South African Journal of Botany 130 (2020) 148-154 doi |
| SAR based in-vitro anticholinesterase and molecular docking studies of nitrogenous progesterone derivatives Steroids 158 (2020) 108599 doi |
| Synthesis, antibacterial evaluation and molecular docking studies of novel series of acridone- 1,2,3-triazole derivatives Structural Chemistry (2020) doi |
| In silico studies of novel scaffold of thiazolidin-4-one derivatives as anti-Toxoplasma gondii agents by 2D/3D-QSAR, molecular docking, and molecular dynamics simulations Structural Chemistry (2020) doi |
| Identification of novel interacting regions involving calcineurin and nuclear factor of activated T cells The FASEB Journal n/a (n/a) (2020) doi |
| Improvement of the novel inhibitor for Mycobacterium enoyl-acyl carrier protein reductase (InhA): a structure–activity relationship study of KES4 assisted by in silico structure-based drug screening The Journal of Antibiotics (2020) doi |
| Molecular docking, anti-proliferative activity and induction of apoptosis in human liver cancer cells treated with androstane derivatives: Implication of PI3K/AKT/mTOR pathway The Journal of Steroid Biochemistry and Molecular Biology (2020) 105604 doi |
| Synthesis and applications of theranostic oligonucleotides carrying multiple fluorine atoms Theranostics 10 (3) (2020) 1391-1414 doi |
| Tracing and attribution of V-type nerve agents in human exposure by strategy of assessing the phosphonylated and disulfide adducts on ceruloplasmin Toxicology 430 (2020) 152346 doi |
| Protein adduct binding properties of tabun-subtype nerve agents after exposure in vitro and in vivo Toxicology Letters 321 (2020) 1-11 doi |
| Evaluation of Existing Models to Estimate Sorption Coefficients for Ionisable Pharmaceuticals in Soils and Sludge Toxics 8 (1) (2020) doi |
| Interactions of Destruxin A with Silkworms’ Arginine tRNA Synthetase and Lamin-C Proteins Toxins 12 (2) (2020) doi |
| New Insights into the Type II Toxins from the Sea Anemone Heteractis crispa Toxins 12 (1) (2020) doi |
| Influenza Hemagglutinin Nanoparticle Vaccine Elicits Broadly Neutralizing Antibodies against Structurally Distinct Domains of H3N2 HA Vaccines 8 (1) (2020) doi |
| Suramin Inhibits Chikungunya Virus Replication by Interacting with Virions and Blocking the Early Steps of Infection Viruses 12 (3) (2020) doi |
| Dissecting the molecular basis of high viscosity of monospecific and bispecific IgG antibodies mAbs 12 (1) (2020) 1692764 doi |
| Chapter Two Advances in Molecular Toxicology 13 Elsevier (2020) 31-68 doi |
| Chapter 8 Emerging and Reemerging Viral Pathogens Academic Press (2020) 121-145 doi |
| Accurate Scoring in Seconds with the Fragment Molecular Orbital and Density-Functional Tight-Binding Methods Quantum Mechanics in Drug Discovery Springer US (2020) 143-148 doi |
| COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING BACTERIAL GROWTH Board of Trustees of Michigan Stat University (East Lansing, MI, US) (2020) |
| ANTIGEN-BINDING MOLECULE CAPABLE OF BINDING TO TWO OR MORE ANTIGEN MOLECULES REPEATEDLY Chugai Seiyaku Kabushiki Kaisha (Tokyo, JP) (2020) |
| Chapter 9 Emerging and Reemerging Viral Pathogens Academic Press (2020) 147-177 doi |
| NEW TOLL-LIKE RECEPTOR 9 ANTAGONISTS FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (München, DE),YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (Jerusalem, IL), (2020) |
| ANTIGEN BINDING MOLECULES AND METHODS OF USE THEREOF Kite Pharma, Inc. (Santa Monica, CA, US) (2020) |
| MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME Duquesne University of the Holy Spirit (Pittsburgh, PA, US) (2020) |
| METHODS OF TREATMENT USING IL-23p19 MONOCLONAL ANTIBODIES Bristol-Myers Squibb Company (Princeton, NJ, US) (2020) |
| Computational Structural Biology for Drug Discovery Structural Biology in Drug Discovery (2020) 347-361 doi |
| Molecular Docking Using Quantum Mechanical-Based Methods Quantum Mechanics in Drug Discovery Springer US (2020) 269-284 doi |
| Chapter 11 Studies in Natural Products Chemistry 64 Elsevier (2020) 321-364 doi |
| Conformational Searching with Quantum Mechanics Quantum Mechanics in Drug Discovery Springer US (2020) 207-229 doi |
| Chapter 17 Biophysical Characterization of Proteins in Developing Biopharmaceuticals (Second Edition) Elsevier (2020) 505-526 doi |
| IL15/IL15Ralpha HETERODIMERIC Fc-FUSION PROTEINS Xencor, Inc. (Monrovia, CA, US) (2020) |
| Estimating and Predicting Exposure to Products from Emerging Technologies Synthetic Biology 2020: Frontiers in Risk Analysis and Governance Springer International Publishing (2020) 107-142 doi |
| Immunoproteasome Inhibitor The Regents of the University of California (Oakland, CA, US) (2020) |
| Environmental Toxicity (Q)SARs for Polymers as an Emerging Class of Materials in Regulatory Frameworks, with a Focus on Challenges and Possibilities Regarding Cationic Polymers Ecotoxicological QSARs Springer US (2020) 681-705 doi |