MOE Citations

2018 to Date

Novel pyrimidine-pyridine hybrids: Synthesis, cyclooxygenase inhibition, anti-inflammatory activity and ulcerogenic liability
Abdelgawad, Mohamed A.; Bakr, Rania B.; Azouz, Amany A.
Bioorganic Chemistry 77 (2018339-348 doi
Rational Solvent Selection for Pharmaceutical Impurity Purge
Abramov, Yuriy A.
Crystal Growth & Design (2018doi
Design, Synthesis and Cytotoxic Evaluation of Novel Chalcone Derivatives Bearing Triazolo[4,3-a]-quinoxaline Moieties as Potent Anticancer Agents with Dual EGFR Kinase and Tubulin Polymerization Inhibitory Effects
Alswah, Mohamed; Bayoumi, H. Ashraf; Elgamal, Kamal; Elmorsy, Ahmed; Ihmaid, Saleh; Ahmed, E. Hany
Molecules 23 (1) (2018doi
Design, Synthesis, and Biological Evaluation of Novel 1,3,4-Thiadiazole Derivatives as Potential Antitumor Agents against Chronic Myelogenous Leukemia: Striking Effect of Nitrothiazole Moiety
Altıntop, D. Mehlika; Ciftci, I. Halil; Radwan, O. Mohamed; Sever, Belgin; Kaplancıklı, A. Zafer; Ali, F. Taha; Koga, Ryoko; Fujita, Mikako; Otsuka, Masami; Özdemir, Ahmet
Molecules 23 (1) (2018doi
Statistical Models Are Able to Predict Ionic Liquid Viscosity Across a Wide Range of Chemical Functionalities and Experimental Conditions
Beckner, Wesley; Mao, Coco M.; Pfaendtner, Jim
Molecular Systems Design & Engineering (2018doi
Synthesis, biological evaluation and molecular modeling of novel thienopyrimidinone and triazolothienopyrimidinone derivatives as dual anti-inflammatory antimicrobial agents
Bekhit, Adnan A.; Farghaly, Ahmed M.; Shafik, Ragab M.; Elsemary, Mona M. A.; Bekhit, Alaa El-Din A.; Guemei, Aida A.; El-Shoukrofy, Mai S.; Ibrahim, Tamer M.
Bioorganic Chemistry 77 (201838-46 doi
Targeted and untargeted analysis of  organic contaminants from  on-site sewage treatment facilities:  Removal, fate and environmental impact
Blum, Kristin
 PhD Thesis, Umeå University (2018)
NF-κB inducing kinase is a therapeutic target for systemic lupus erythematosus
Brightbill, Hans D.; Suto, Eric; Blaquiere, Nicole; Ramamoorthi, Nandhini; Sujatha-Bhaskar, Swathi; Gogol, Emily B.; Castanedo, Georgette M.; Jackson, Benjamin T.; Kwon, Youngsu C.; Haller, Susan; Lesch, Justin; Bents, Karin; Everett, Christine; Kohli, Pawan Bir; Linge, Sandra; Christian, Laura; Barrett, Kathy; Jaochico, Allan; Berezhkovskiy, Leonid M.; Fan, Peter W.; Modrusan, Zora; Veliz, Kelli; Townsend, Michael J.; DeVoss, Jason; Johnson, Adam R.; Godemann, Robert; Lee, Wyne P.; Austin, Cary D.; McKenzie, Brent S.; Hackney, Jason A.; Crawford, James J.; Staben, Steven T.; Alaoui Ismaili, Moulay H.; Wu, Lawren C.; Ghilardi, Nico
Nature Communications 9 (1) (2018179 doi
Identification of approved drugs as potent inhibitors of pregnane X receptor activation with differential receptor interaction profiles
Burk, Oliver; Kuzikov, Maria; Kronenberger, Thales; Jeske, Judith; Keminer, Oliver; Thasler, Wolfgang E.; Schwab, Matthias; Wrenger, Carsten; Windshügel, Björn
Archives of Toxicology (2018doi
Limonoids from seeds of Azadirachta indica A. Juss. and their cytotoxic activity
Chen, Jian; Fan, Xiaona; Zhu, Jianhua; Song, Liyan; Li, Zhiwei; Lin, Fei; Yu, Rongmin; Xu, Hanhong; Zi, Jiachen
Acta Pharmaceutica Sinica B (2018doi
Design, Synthesis and Anticancer Studies of Novel Aminobenzazolyl Pyrimidines as Tyrosine Kinase Inhibitors
Chikhale, Rupesh; Thorat, Sonali; Choudhary, Rajan Kumar; Gadewal, Nikhil; Khedekar, Pramod
Bioorganic Chemistry (2018doi
Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method
Heifetz, Alexander; Chudyk, Ewa I.; Sarrat, Laurie; Aldeghi, Matteo; Fedorov, Dmitri G.; Bodkin, Mike J.; James, Tim; Southey, Michelle; Robinson, Roger; Morao, Inaki; Heifetz, Alexander
 (2018179-195 doi
The First Pentacyclic Triterpenoid Gypsogenin Derivative Exhibiting Anti-ABL1 Kinase and Anti-Chronic Myelogenous Leukemia Activities
Ciftci, Halil Ibrahim; Ozturk, Safiye Emirdag; Ali, Taha F. S.; Radwan, Mohamed O.; Tateishi, Hiroshi; Koga, Ryoko; Ocak, Zeynep; Can, Mustafa; Otsuka, Masami; Fujita, Mikako
Biological and Pharmaceutical Bulletin (2018doi
Methods for Virtual Screening of GPCR Targets: Approaches and Challenges
Heifetz, Alexander; Cross, Jason B.
 (2018233-264 doi
Design, synthesis and evaluation of indole derivatives as multifunctional agents against Alzheimer's disease
Denya, Ireen; Malan, Sarel F.; Enogieru, Adaze B.; Omoruyi, Sylvester I.; Ekpo, Okobi E.; Kapp, Erika; Zindo, Frank T.; Joubert, Jacques
MedChemComm (2018doi
Fluorometric detection of protein-ligand engagement: The case of phosphodiesterase5
Di Rocco, Giulia; Martinelli, Ilaria; Pacifico, Salvatore; Guerrini, Remo; Cichero, Elena; Fossa, Paola; Franchini, Silvia; Cardarelli, Silvia; Giorgi, Mauro; Sola, Marco; Ponterini, Glauco
Journal of Pharmaceutical and Biomedical Analysis 149 (2018335-342
Ivermectin as an inhibitor of cancer stem‑like cells
Dominguez‑Gomez, G.; Chavez‑Blanco, A.; Medina‑Franco, J.L.; Saldivar‑Gonzalez, F.; Flores‑Torrontegui, Y.; Juarez, M.; Díaz‑Chávez, J.; Gonzalez‑Fierro, A.; Dueñas‑González, A.
Molecular Medicine Reports 17 (2) (20183397-3403 doi
Distinctive Inhibition of Alkaline Phosphatase Isozymes by thiazol-2-ylidene-Benzamide Derivatives: Functional insights into their Anticancer Role
Ejaz, Syeda Abida; Saeed, Aamer; Shah, Syed Jawad Ali; Hameed, Abdul; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed
Journal of Cellular Biochemistry (2018doi
Design, Synthesis, and Biological Evaluation of New Azole Derivatives as Potent Aromatase Inhibitors with Potential Effects against Breast Cancer
Farzin, Hadizadeh; Fatemeh, Kalalinia; Mohammad, Jouya; Alireza Khorsand, Komachal; Aboutourabzadeh Seyed, Mohammad; Gholamreza, Karimi; Javad, Behravan; Khalil, Abnous; Leila Etemad & Hossein, Kamali
Anti-Cancer Agents in Medicinal Chemistry 18 (20181-1 doi
Molecular Mechanism of Resveratrol’s Lipid Membrane Protection
Fei, Qinqin; Kent, David; Botello-Smith, Wesley M.; Nur, Fariah; Nur, Saadia; Alsamarah, Abdelaziz; Chatterjee, Payal; Lambros, Maria; Luo, Yun
Scientific Reports 8 (1) (20181587 doi
Part III: Novel checkpoint kinase 2 (Chk2) inhibitors; design, synthesis and biological evaluation of pyrimidine-benzimidazole conjugates
Galal, Shadia A.; Khattab, Muhammad; Shouman, Samia A.; Ramadan, Raghda; Kandil, Omaima M.; Kandil, Omnia M.; Tabll, Ashraf; El Abd, Yasmine S.; El-Shenawy, Reem; Attia, Yasmin M.; El-Rashedy, Ahmed A.; El Diwani, Hoda I.
European Journal of Medicinal Chemistry 146 (2018687-708 doi
X-Ray Structures of Target-Ligand Complexes Containing Compounds with Assay Interference Potential
Gilberg, Erik; Gütschow, Michael; Bajorath, Jürgen
Journal of Medicinal Chemistry (2018doi
X-ray-Structure-Based Identification of Compounds with Activity against Targets from Different Families and Generation of Templates for Multitarget Ligand Design
Gilberg, Erik; Stumpfe, Dagmar; Bajorath, Jürgen
ACS Omega 3 (1) (2018106-111 doi
Prevalence and ancestral origin of the c.1987delC GAA gene mutation causing Pompe disease in Central Mexico
Grijalva-Pérez, Adriana; Esmer, Carmen; Romero-Hidalgo, Sandra; Rojo-Dominguez, Arturo; Rosas-Madrigal, Sandra; Velazquez-Cruz, Rafael; Villarreal-Molina, Teresa; Acuña-Alonzo, Victor; Bravo-Oro, Antonio; Carnevale, Alessandra
Meta Gene 15 (201860-64 doi
Bioactivity-guided cut countercurrent chromatography for isolation of lysine-specific demethylase 1 inhibitors from Scutellaria baicalensis Georgi
Han, Chao; Wang, Shanshan; Li, Zhongrui; Chen, Chen; Hou, Jiqin; Xu, Dingqiao; Wang, Ruizhi; Lin, Yaolan; Luo, Jianguang; Kong, Lingyi
Analytica Chimica Acta (2018doi
Computer-aided Discovery of Peptides that Specifically Attack Bacterial Biofilms
Haney, Evan F.; Brito-Sánchez, Yoan; Trimble, Michael J.; Mansour, Sarah C.; Cherkasov, Artem; Hancock, Robert E. W.
Scientific Reports 8 (1) (20181871 doi
Synthesis, in vitro coagulation activities and molecular docking studies on three L-histidine amide derivatives
He, Wei; Zhao, Anran; Zou, Jiajia; Luo, Xuan; Lin, Xiao; Wang, Lisheng; Lin, Cuiwu
Chemical Research in Chinese Universities (2018doi
Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery
Heifetz, Alexander; Heifetz, Alexander; Southey, Michelle; Morao, Inaki; Townsend-Nicholson, Andrea; Bodkin, Mike J.
 (2018375-394 doi
Design, synthesis and evaluation of novel N-hydroxybenzamides/N-hydroxypropenamides incorporating quinazolin-4(3H)-ones as histone deacetylase inhibitors and antitumor agents
Hieu, Doan Thanh; Anh, Duong Tien; Tuan, Nguyen Minh; Hai, Pham-The; Huong, Le-Thi-Thu; Kim, Jisung; Kang, Jong Soon; Vu, Tran Khac; Dung, Phan Thi Phuong; Han, Sang-Bae; Nam, Nguyen-Hai; Hoa, Nguyen-Dang
Bioorganic Chemistry 76 (2018258-267 doi
Hydrogen/deuterium exchange mass spectrometry and computational modeling reveal a discontinuous epitope of an antibody/TL1A Interaction
Huang, Richard Y. C.; Krystek, Stanley R.; Felix, Nathan; Graziano, Robert F.; Srinivasan, Mohan; Pashine, Achal; Chen, Guodong
mAbs 10 (1) (201895-103 doi
CHIPMUNK: A virtual synthesizable small molecule library for medicinal chemistry exploitable for protein-protein interaction modulators
Humbeck, Lina; Weigang, Sebastian; Schäfer, Till; Mutzel, Petra; Koch, Oliver
ChemMedChem (2018doi
Affinity resins as new tools for identifying target proteins of ascorbic acid
Iwaoka, Yuji; Nishino, Kohei; Ishikawa, Takahiro; Ito, Hideyuki; Sawa, Yoshihiro; Tai, Akihiro
Analyst (2018doi
Impact of Intracellular Ionic Strength on Dimer Binding in the NF-kB Inducing Kinase
Jones, Michael R.; Yue, Joshua; Wilson, Angela K.
Journal of Structural Biology (2018doi
Spectroscopic studies of the interaction between alprazolam and apo-human serum transferrin as a drug carrier protein
Karimian Amroabadi, Marzieh; Taheri-Kafrani, Asghar; Heidarpoor Saremi, Leily; Rastegari, Ali Asghar
International Journal of Biological Macromolecules 108 (2018263-271 doi
The assembly mechanism of coiled-coil domains of the yeast cargo receptors Emp46p/47p and the mutational alteration of pH-dependency of complex formation
Kato, Koichi; Furuhashi, Takahisa; Oda, Akifumi; Kurimoto, Eiji
The Journal of Biochemistry (2018doi
Core Binding Site of a Thioflavin-T-Derived Imaging Probe on Amyloid β Fibrils Predicted by Computational Methods
Kawai, Ryoko; Araki, Mitsugu; Yoshimura, Masashi; Kamiya, Narutoshi; Ono, Masahiro; Saji, Hideo; Okuno, Yasushi
ACS Chemical Neuroscience (2018doi
A new entry into the portfolio of α-glucosidase inhibitors as potent therapeutics for type 2 diabetes: design, bioevaluation and one-pot multi-component synthesis of diamine-bridged coumarinyl oxadiazole conjugates
Kazmi, Madiha; Zaib, Sumera; Ibrar, Aliya; Tayyeba Amjad, Sayyeda; Shafique, Zainab; Mehsud, Saifullah; Saeed, Aamer; Iqbal, Jamshed; Khan, Imtiaz
Bioorganic Chemistry (2018doi
Carbamates as Potential Prodrugs and a New Warhead for HDAC Inhibition
King, Kristina; Hauser, Alexander-Thomas; Melesina, Jelena; Sippl, Wolfgang; Jung, Manfred
Molecules 23 (2) (2018doi
Structure activity relationships, multidrug resistance reversal and selectivity of heteroarylphenyl ABCG2 inhibitors
Köhler, Sebastian C.; Vahdati, Sahel; Scholz, Matthias S.; Wiese, Michael
European Journal of Medicinal Chemistry (2018doi
Computational method for estimating progression saturation of analog series
Kunimoto, Ryo; Miyao, Tomoyuki; Bajorath, Jurgen
RSC Advances 8 (10) (20185484-5492 doi
Azole-hydrazone derivatives: Design, synthesis, in vitro biological evaluation, dual EGFR/HER2 inhibitory activity, cell cycle analysis and molecular docking study as anticancer agents
Labib, Madlen B.; Philoppes, John N.; Lamie, Phoebe F.; Ahmed, Esam R.
Bioorganic Chemistry 76 (Supplement C) (201867-80 doi
Methods of Exploring Protein–Ligand Interactions to Guide Medicinal Chemistry Efforts
Heifetz, Alexander; Labute, Paul
 (2018159-177 doi
Design, synthesis and evaluation of resveratrol-indazole hybrids as novel monoamine oxidases inhibitors with amyloid-β aggregation inhibition
Lan, Jin-Shuai; Liu, Yun; Hou, Jian-wei; Yang, Jing; Zhang, Xin-Yu; Zhao, Yuan; Xie, Sai-Sai; Ding, Yue; Zhang, Tong
Bioorganic Chemistry 76 (Supplement C) (2018130-139 doi
3D-QSAR study of steroidal and azaheterocyclic human aromatase inhibitors using quantitative profile of protein–ligand interactions
Lee, Sehan; Barron, Mace G.
Journal of Cheminformatics 10 (1) (20182 doi
Bacterial Production, Characterization and Protein Modeling of a Novel Monofuctional Isoform of FAD Synthase in Humans: An Emergency Protein?
Leone, Piero; Galluccio, Michele; Barbiroli, Alberto; Eberini, Ivano; Tolomeo, Maria; Vrenna, Flavia; Gianazza, Elisabetta; Iametti, Stefania; Bonomi, Francesco; Indiveri, Cesare; Barile, Maria
Molecules 23 (1) (2018doi
Optimization of reverse chemical ecology method: false positive binding of Aenasius bambawalei odorant binding protein 1 caused by uncertain binding mechanism
Li, Q. L.; Yi, S. C.; Li, D. Z.; Nie, X. P.; Li, S. Q.; Wang, M. Q.; Zhou, A. M.
Insect Molecular Biology (2018doi
NO inhibitors function as potential anti-neuroinflammatory agents for AD from the flowers of Inula japonica
Liu, Feng; Dong, Bangjian; Yang, Xueyuan; Yang, Yuling; Zhang, Jie; Jin, Da-Qing; Ohizumi, Yasushi; Lee, Dongho; Xu, Jing; Guo, Yuanqiang
Bioorganic Chemistry (2018doi
Daphnane diterpenoids with nitric oxide inhibitory activities and interactions with iNOS from the leaves of Trigonostemon thyrsoideus
Liu, Feng; Yang, Xueyuan; Liang, Yue; Dong, Bangjian; Su, Guochen; Tuerhong, Muhetaer; Jin, Da-Qing; Xu, Jing; Guo, Yuanqiang
Phytochemistry 147 (201857-67 doi
Regio- and stereoselective synthesis of new spirooxindoles via 1,3-dipolar cycloaddition reaction: Anticancer and molecular docking studies
Lotfy, Gehad; El Ashry, El Sayed H.; Said, Mohamed M.; El Tamany, El Sayed; Abdel Aziz, Yasmine M.; Al-Dhfyan, Abdullah; Al-Majid, Abdullah M.; Barakat, Assem
Journal of Photochemistry and Photobiology B: Biology (2018doi
A Tri-O-Bridged Diels-Alder Adduct from Cortex Mori Radicis
Lu, An-Qi; Chen, Ming-Hua; Gao, Jie; Wang, Lu; Yang, Han-Yu; Li, Lan; Zhang, Bo; He, Hao-Ke; Wang, Su-Juan
Molecules 23 (1) (2018doi
Structure-Based Design and Application of a Nucleotide Coenzyme Mimetic Ligand: Application to the Affinity Purification of Nucleotide Dependent Enzymes
Marinou, Marigianna; Platis, Dimitrios; Ataya, Farid S.; Chronopoulou, Evangelia; Vlachakis, Dimitrios; Labrou, Nikolaos E.
Journal of Chromatography A (2018doi
Discovery of a Novel Potent GPR40 Full Agonist
Meegalla, Sanath K.; Huang, Hui; Martin, Tonya; Xu, June; Zhao, Shuyuan; Liu, Jianying; Hall, Meghan; Gunnet, Joe; Wang, Yuanping; Rady, Brian; Silva, Jose; Otieno, Monicah; Arnoult, Eric; Paul Lee, S.; Pocai, Alessandro; Player, Mark R.
Bioorganic & Medicinal Chemistry Letters (2018doi
Indole-3-Carbonitriles as DYRK1A Inhibitors by Fragment-Based Drug Design
Meine, Rosanna; Becker, Walter; Falke, Hannes; Preu, Lutz; Loaëc, Nadège; Meijer, Laurent; Kunick, Conrad
Molecules 23 (2) (2018doi
Degradation of tropoelastin and skin elastin by neprilysin
Mora Huertas, Angela C.; Schmelzer, Christian E. H.; Luise, Chiara; Sippl, Wolfgang; Pietzsch, Markus; Hoehenwarter, Wolfgang; Heinz, Andrea
Biochimie 146 (201873-78 doi
Development of sugar chain-binding single-chain variable fragment antibody to adult T-cell leukemia cells using glyco-nanotechnology and phage display method
Muchima, Kaname; Todaka, Taro; Shinchi, Hiroyuki; Sato, Ayaka; Tazoe, Arisa; Aramaki, Rikiya; Kakitsubata, Yuhei; Yokoyama, Risa; Arima, Naomichi; Baba, Masanori; Wakao, Masahiro; Ito, Yuji; Suda, Yasuo
The Journal of Biochemistry (2018doi
Analysis of physicochemical properties of drugs included in
Nagai, Junko; Kagaya, Hajime; Uesawa, Yoshihiro
Chem-Bio Informatics Journal 18 (20181-9
Engineering a self-sufficient Mycobacterium tuberculosis CYP130 by gene fusion with the reductase-domain of CYP102A1 from Bacillus megaterium
Ortega Ugalde, Sandra; Luirink, Rosa A.; Geerke, Daan P.; Vermeulen, Nico P. E.; Bitter, Wilbert; Commandeur, Jan N. M.
Journal of Inorganic Biochemistry 180 (201847-53 doi
Characterization of a Prenyltransferase for Iso-A82775C Biosynthesis and Generation of New Congeners of Chloropestolides
Pan, Yuanyuan; Liu, Ling; Guan, Feifei; Li, Erwei; Jin, Jin; Li, Jinyang; Che, Yongsheng; Liu, Gang
ACS Chemical Biology (2018doi
Modification of Bischler-Möhlau indole derivatives through palladium catalyzed Suzuki reaction as effective cholinesterase inhibitors, their kinetic and molecular docking studies
Parveen, Shaista; Shah, Muhammad Shakil; Zaib, Sumera; Gul, Tayyaba; Khan, Khalid Mohammed; Iqbal, Jamshed; Hassan, Abbas
Bioorganic Chemistry 76 (2018166-176 doi
Synthesis, crystal structure, molecular docking studies and bio-evaluation of some N4-benzyl-substituted isatin- 3-thiosemicarbazones as urease and glycation inhibitors
Pervez, Humayun; Khan, Nazia; Iqbal, Jamshed; Zaib, Sumera; Yaqub, Muhammad; Tahir Muhammad, Nawaz; Naseer Muhammad, Moazzam
 (2018doi
Discovery of Selective 2,4-Diaminoquinazoline Toll-like Receptor 7 (TLR 7) Agonists
Pieters, Serge; McGowan, David; Herschke, Florence; Pauwels, Frederik; Stoops, Bart; Last, Stefaan; Embrechts, Werner; Scholliers, Annick; Mostmans, Wendy; Van Dijck, Kris; Van Schoubroeck, Bertrand; Thoné, Tine; De Pooter, Dorien; Fanning, Gregory; Rosauro, Mari Luz; Khamlichi, Mourad Daoubi; Houpis, Yannis; Arnoult, Eric; Jonckers, Tim H. M.; Raboisson, Pierre
Bioorganic & Medicinal Chemistry Letters (2018doi
Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding
Heifetz, Alexander; Potterton, Andrew; Heifetz, Alexander; Townsend-Nicholson, Andrea
 (2018335-343 doi
Identification of novel N1-(2-aryl-1, 3-thiazolidin-4-one)-N3-aryl ureas showing potent multi-tyrosine kinase inhibitory activities
Qi, Baohui; Yang, Ying; He, Huan; Yue, Xupeng; Zhou, Yuting; Zhou, Xing; Chen, Yuying; Liu, Min; Zhang, Anmian; Wei, Fachang
European Journal of Medicinal Chemistry 146 (2018368-380 doi
Design, synthesis, and molecular docking of novel indole scaffold-based VEGFR-2 inhibitors as targeted anticancer agents
Roaiah, Hanaa M.; Ghannam, Iman A. Y.; Ali, Islam H.; El Kerdawy, Ahmed M.; Ali, Mamdouh M.; Abbas, Safinaz E. S.; El-Nakkady, Sally S.
Archiv der Pharmazie (2018doi
Synthesis of new triterpenic monomers and dimers as potential antiproliferative agents and their molecular docking studies
Saeed, Aasim; Hussain, Hidayat; Shamraiz, Umair; Rehman, Najeeb Ur; Khan, Husain Yar; Badshah, Amin; Heller, Lucie; Csuk, René; Ali, Majid; Khan, Ajmal; Al-Harrasi, Ahmed
European Journal of Medicinal Chemistry 143 (2018948-957 doi
Quantitative Structure–Cytotoxicity Relationship of 2-Azolylchromones
Sakagami, Hiroshi; Okudaira, Noriyuki; Uesawa, Yoshihiro; Takao, Koichi; Kagaya, Hajime; Sugita, Yoshiaki
Anticancer Research 38 (2) (2018763-770
Quantitative Structure-Activity Modelling of Toxic Compounds
Gothandam, K. M.; Ranjan, Shivendu; Dasgupta, Nandita; Ramalingam, Chidambaram; Lichtfouse, Eric; Satpathy, Raghunath
 (2018313-331 doi
Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4’s group III mGlu receptor functional potency and selectivity
Schkeryantz, Jeffery M.; Chen, Qi; Ho, Joseph D.; Atwell, Shane; Zhang, Aiping; Vargas, Michelle C.; Wang, Jing; Monn, James A.; Hao, Junliang
Bioorganic & Medicinal Chemistry Letters (2018doi
Pharmacological blockade of ASCT2-dependent glutamine transport leads to antitumor efficacy in preclinical models
Schulte, Michael L.; Fu, Allie; Zhao, Ping; Li, Jun; Geng, Ling; Smith, Shannon T.; Kondo, Jumpei; Coffey, Robert J.; Johnson, Marc O.; Rathmell, Jeffrey C.; Sharick, Joe T.; Skala, Melissa C.; Smith, Jarrod A.; Berlin, Jordan; Washington, M. Kay; Nickels, Michael L.; Manning, H. Charles
Nature Medicine (2018doi
Computer-Aided Drug Design Studies in Food Chemistry
Holban, Alina Maria; Scotti, Luciana; Júnior, Francisco J. B. M.; Ishiki, Hamilton M.; Ribeiro, Frederico F.; Duarte, Marcelo C.; Santana, Gracielle S.; Oliveira, Tiago B.; de Fátima Formiga Melo Diniz, Margareth; Quintans-Júnior, Lucindo J.; Scotti, Marcus T.
 (2018261-297 doi
Transcriptional analysis and molecular dynamics simulations reveal the mechanism of toxic metals removal and efflux pumps in Lysinibacillus sphaericus OT4b.31
Shaw, Dario Rangel; Dussan, Jenny
International Biodeterioration & Biodegradation 127 (201846-61 doi
Potential roles of inorganic phosphate on the progression of initially bound glucopyranose toward the nonenzymatic glycation of human hemoglobin: mechanistic diversity and impacts on site selectivity
Smith, Brandy A.; Mottishaw, Christina R.; Hendricks, Andria J.; Mitchell, Jason; Becker, Stephanie; Ropski, Pamela S.; Park, Bomina; Finkbeiner-Caufield, Marie; Garay-Nontol, Barbara; Holman, R. W.; Rodnick, Kenneth J.
Cogent Biology (2018doi
In search of the optimal macrocyclization site for neurotensin
Sousbie, Marc; Besserer-Offroy, Élie; Brouillette, Rebecca; Longpré, Jean-Michel; Leduc, Richard; Sarret, Philippe; Marsault, Éric
ACS Medicinal Chemistry Letters (2018doi
Ridaifen-F conjugated with cell-penetrating peptides inhibits intracellular proteasome activities and induces drug-resistant cell death
Tanaka, Makoto; Zhu, Yunhao; Shionyu, Masafumi; Ota, Nozomi; Shibata, Natsumi; Watanabe, Chihiro; Mizusawa, Akihito; Sasaki, Ryuzo; Mizukami, Tamio; Shiina, Isamu; Hasegawa, Makoto
European Journal of Medicinal Chemistry 146 (2018636-650 doi
GPCR Homology Model Generation for Lead Optimization
Heifetz, Alexander; Tautermann, Christofer S.
 (2018115-131 doi
Biological activity and interaction mechanism of the diketopiperazine derivatives as tubulin polymerization inhibitors
Tian, Zhenhua; Chu, Yanyan; Wang, Hui; Zhong, Lili; Deng, Mengyan; Li, Wenbao
RSC Advances 8 (2) (20181055-1064 doi
Quantitative Structure–Cytotoxicity Relationship of Cinnamic Acid Phenetyl Esters
Uesawa, Yoshihiro; Sakagami, Hiroshi; Okudaira, Noriyuki; Toda, Kazuhiro; Takao, Koichi; Kagaya, Hajime; Sugita, Yoshiaki
Anticancer Research 38 (2) (2018817-823
Antioxidant activity and apoptotic induction as mechanisms of action of Withania somnifera (Ashwagandha) against a hepatocellular carcinoma cell line
Wafaa, Ahmed; Dina, Mofed; Abdel-Rahman, Zekri; Nasr, El-Sayed; Mohamed, Rahouma; Salwa, Sabet
Journal of International Medical Research (2018doi
Exposure of helices α4-α5 is required for insecticidal activity of Cry2Ab by promoting assembly of a pre-pore oligomeric structure
Xu, Lian; Pan, Zhi-Zhen; Zhang, Jing; Niu, Li-Yang; Li, Jie; Chen, Zheng; Liu, Bo; Zhu, Yu-Jing; Chen, Qing-Xi
Cellular Microbiology (2018e12827 doi
Insights into the effect and interaction mechanism of bisphenol S on lipids hydrolysis in sludge through multi-spectra, thermodynamics, and molecule docking analysis
Yang, Hang; Zhang, Li; Hou, Guangying; Liu, Chunguang
Environmental Science and Pollution Research (2018doi
Catalytic mechanism of the Ubiquitin-like NEDD8 transfer in RING E3-E2~nedd8-target Complex from QM/MM free energy simulations
Yue, Yufei; Ma, Yue; Qian, Ping; Guo, Hong
Journal of Chemical Information and Modeling (2018doi
A novel NIR fluorescent probe for monitoring COX-2 in inflammation and tumor
Zhang, Qi; Han, Zhihao; Tao, Ji; Zhang, Wancun; Li, Ping; Tang, Liping; Gu, Yueqing
Journal of Biophotonics (2018doi
Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies
Zheng, Mingyue; Zhao, Jihui; Cui, Chen; Fu, Zunyun; Li, Xutong; Liu, Xiaohong; Ding, Xiaoyu; Tan, Xiaoqin; Li, Fei; Luo, Xiaomin; Chen, Kaixian; Jiang, Hualiang
Medicinal Research Reviews (2018doi