| Kobophenol A inhibits binding of host ACE2 receptor with spike RBD domain of SARS-CoV-2, a lead compound for blocking COVID-19 S Gangadevi, VN Badavath, A Thakur, N Yin, S De Jonghe, O Acevedo, ... The journal of physical chemistry letters 12 (7), 1793-1802, 2021 | 91 | 2021 |
| c-Phycocyanin primed silver nano conjugates: Studies on red blood cell stress resilience mechanism H Madhyastha, R Madhyastha, A Thakur, S Kentaro, A Dev, S Singh, ... Colloids and Surfaces B: Biointerfaces 194, 111211, 2020 | 34 | 2020 |
| Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A C Nath, VN Badavath, A Thakur, G Ucar, O Acevedo, MUM Siddique, ... MedChemComm 9 (7), 1164-1171, 2018 | 34 | 2018 |
| Phe71 in type III trypanosomal protein arginine methyltransferase 7 (TbPRMT7) restricts the enzyme to monomethylation TB Cáceres, A Thakur, OM Price, N Ippolito, J Li, J Qu, O Acevedo, ... Biochemistry 57 (8), 1349-1359, 2018 | 30 | 2018 |
| ChatGPT in drug discovery G Sharma, A Thakur | 27 | 2023 |
| Non-carboxylic acid inhibitors of aldose reductase based on N-substituted thiazolidinedione derivatives MUM Siddique, A Thakur, D Shilkar, S Yasmin, D Halakova, L Kovacikova, ... European journal of medicinal chemistry 223, 113630, 2021 | 19 | 2021 |
| Substrate-dependent mobile loop conformational changes in alkanesulfonate monooxygenase from accelerated molecular dynamics A Thakur, S Somai, K Yue, N Ippolito, D Pagan, J Xiong, HR Ellis, ... Biochemistry 59 (38), 3582-3593, 2020 | 16 | 2020 |
| Primer for Designing Main Protease (Mpro) Inhibitors of SARS-CoV-2 A Thakur, G Sharma, VN Badavath, V Jayaprakash, KM Merz Jr, G Blum, ... The journal of physical chemistry letters 13 (25), 5776-5786, 2022 | 10 | 2022 |
| Examining product specificity in protein arginine methyltransferase 7 (PRMT7) using quantum and molecular mechanical simulations A Thakur, JM Hevel, O Acevedo Journal of chemical information and modeling 59 (6), 2913-2923, 2019 | 10 | 2019 |
| Compounds of natural origin and acupuncture for the treatment of diseases caused by estrogen deficiency A Thakur, SC Mandal, S Banerjee Journal of Acupuncture and Meridian Studies 9 (3), 109-117, 2016 | 10 | 2016 |
| Molecular conformation in charge tunneling across large-area junctions C Du, SR Norris, A Thakur, J Chen, B VanVeller, M Thuo Journal of the American Chemical Society 143 (34), 13878-13886, 2021 | 9 | 2021 |
| Evolutionary divergence in the conformational landscapes of tyrosine vs serine/threonine kinases J Gizzio, A Thakur, A Haldane, RM Levy Elife 11, e83368, 2022 | 8 | 2022 |
| Naturally occurring cancer-associated mutations disrupt oligomerization and activity of protein arginine methyltransferase 1 (PRMT1) OM Price, A Thakur, A Ortolano, A Towne, C Velez, O Acevedo, JM Hevel Journal of Biological Chemistry 297 (5), 2021 | 8 | 2021 |
| Identification of novel GSK1070916 analogs as potential aurora b inhibitors: insights from molecular dynamics and MM/GBSA based rescoring F Shaikh, S Bhakat, A Thakur, A Radadia, M ES Soliman, A Shah Letters in Drug Design & Discovery 12 (1), 2-13, 2015 | 8 | 2015 |
| Designing of potential new estrogen antagonists for treatment of Endometriosis: designing of ligands, molecular docking, activity, ADME & Toxicity prediction study A Thakur International Journal of Pharmacy and Pharmaceutical Sciences 5 (3), 451-455, 2013 | 7 | 2013 |
| Insights from the predicted structural analysis of carborane substituted withaferin A with Indoleamine-2, 3-dioxygenase as a potent inhibitor SH Basha, A Thakur, FA Samad Bioinformation 12 (9), 374, 2016 | 6 | 2016 |
| Brain permeable curcumin-based pyrazoline analogs: MAO inhibitory and antioxidant activity VN Badavath, A Thakur, D Shilkar, C Nath, O Acevedo, G Ucar, ... Journal of Molecular Structure 1268, 133681, 2022 | 5 | 2022 |
| Designing of potential new aromatase inhibitor for estrogen dependent diseases: A computational approach A Thakur, AK Timiri World Journal of Pharmaceutical Sciences, 13-24, 2014 | 4 | 2014 |
| SELEX based aptamers with diagnostic and entry inhibitor therapeutic potential for SARS-CoV-2 S Halder, A Thakur, SS Keshry, P Jana, D Karothia, I Das Jana, ... Scientific Reports 13 (1), 14560, 2023 | 2 | 2023 |
| Discovery of 3-chlorobenzyl-linked 1, 9-diazaspiro [5.5] undecane derivatives, a lead for dengue virus type 2 infection MSR Gangireddy, VN Badavath, C Velez, N Loeanurit, A Thakur, ... New journal of chemistry 46 (3), 1087-1098, 2022 | 2 | 2022 |
Orlando AcevedoUniversity of Miami, Department of ChemistryVerified email at miami.edu
