| Inhibition of the NEMO/IKKβ association complex formation, a novel mechanism associated with the NF-κB activation suppression by Withania somnifera’s key … A Grover, A Shandilya, A Punetha, VS Bisaria, D Sundar BMC genomics 11, 1-11, 2010 | 139 | 2010 |
| Hsp90: Friends, clients and natural foes S Verma, S Goyal, S Jamal, A Singh, A Grover Biochimie 127, 227-240, 2016 | 101 | 2016 |
| Design, synthesis, cytotoxicity, HuTopoIIα inhibitory activity and molecular docking studies of pyrazole derivatives as potential anticancer agents R Alam, D Wahi, R Singh, D Sinha, V Tandon, A Grover Bioorganic Chemistry 69, 77-90, 2016 | 97 | 2016 |
| Hsp90/Cdc37 chaperone/co-chaperone complex, a novel junction anticancer target elucidated by the mode of action of herbal drug Withaferin A A Grover, A Shandilya, V Agrawal, P Pratik, D Bhasme, VS Bisaria, ... BMC bioinformatics 12, 1-13, 2011 | 95 | 2011 |
| Molecular dynamics simulations revealed structural differences among WRKY domain-DNA interaction in barley (Hordeum vulgare) B Pandey, A Grover, P Sharma BMC genomics 19, 1-16, 2018 | 93 | 2018 |
| Hydrophobic interactions are a key to MDM2 inhibition by polyphenols as revealed by molecular dynamics simulations and MM/PBSA free energy calculations S Verma, S Grover, C Tyagi, S Goyal, S Jamal, A Singh, A Grover PloS one 11 (2), e0149014, 2016 | 88 | 2016 |
| Artificial Intelligence and Machine learning based prediction of resistant and susceptible mutations in Mycobacterium tuberculosis S Jamal, M Khubaib, R Gangwar, S Grover, A Grover, SE Hasnain Scientific reports 10 (1), 5487, 2020 | 86 | 2020 |
| Molecular characterization and enhancement of anticancer activity of caffeic acid phenethyl ester by γ cyclodextrin R Wadhwa, N Nigam, P Bhargava, JK Dhanjal, S Goyal, A Grover, ... Journal of cancer 7 (13), 1755, 2016 | 86 | 2016 |
| Withanone binds to mortalin and abrogates mortalin–p53 complex: Computational and experimental evidence A Grover, D Priyandoko, R Gao, A Shandilya, N Widodo, VS Bisaria, ... The international journal of biochemistry & cell biology 44 (3), 496-504, 2012 | 84 | 2012 |
| Predicting neurological adverse drug reactions based on biological, chemical and phenotypic properties of drugs using machine learning models S Jamal, S Goyal, A Shanker, A Grover Scientific reports 7 (1), 872, 2017 | 81 | 2017 |
| Anticancer activity of the supercritical extract of Brazilian green propolis and its active component, artepillin C: Bioinformatics and experimental analyses of its mechanisms … P Bhargava, A Grover, N Nigam, A Kaul, M Doi, Y Ishida, H Kakuta, ... International journal of oncology 52 (3), 925-932, 2018 | 72 | 2018 |
| Computational evidence to inhibition of human acetyl cholinesterase by withanolide a for Alzheimer treatment A Grover, A Shandilya, V Agrawal, VS Bisaria, D Sundar Journal of Biomolecular Structure and Dynamics 29 (4), 651-662, 2012 | 71 | 2012 |
| Non-nucleosidic inhibition of Herpes simplex virus DNA polymerase: mechanistic insights into the anti-herpetic mode of action of herbal drug withaferin A A Grover, V Agrawal, A Shandilya, VS Bisaria, D Sundar BMC bioinformatics 12, 1-9, 2011 | 70 | 2011 |
| Ashwagandha derived withanone targets TPX2-Aurora A complex: computational and experimental evidence to its anticancer activity A Grover, R Singh, A Shandilya, D Priyandoko, V Agrawal, VS Bisaria, ... PloS one 7 (1), e30890, 2012 | 67 | 2012 |
| Antitussive noscapine and antiviral drug conjugates as arsenal against COVID-19: a comprehensive chemoinformatics analysis N Kumar, A Awasthi, A Kumari, D Sood, P Jain, T Singh, N Sharma, ... Journal of Biomolecular Structure and Dynamics 40 (1), 101-116, 2022 | 66 | 2022 |
| “Picrosides” from Picrorhiza kurroa as potential anti-carcinogenic agents D Soni, A Grover Biomedicine & Pharmacotherapy 109, 1680-1687, 2019 | 59 | 2019 |
| Targeting mortalin by embelin causes activation of tumor suppressor p53 and deactivation of metastatic signaling in human breast cancer cells N Nigam, A Grover, S Goyal, SP Katiyar, P Bhargava, PC Wang, D Sundar, ... PLoS One 10 (9), e0138192, 2015 | 59 | 2015 |
| Machine learning from molecular dynamics trajectories to predict caspase-8 inhibitors against Alzheimer’s disease S Jamal, A Grover, S Grover Frontiers in pharmacology 10, 780, 2019 | 56 | 2019 |
| Development of dual inhibitors against Alzheimer’s disease using fragment‐based QSAR and molecular docking M Goyal, JK Dhanjal, S Goyal, C Tyagi, R Hamid, A Grover BioMed research international 2014 (1), 979606, 2014 | 54 | 2014 |
| Identification of chebulinic acid as potent natural inhibitor of M. tuberculosis DNA gyrase and molecular insights into its binding mode of action K Patel, C Tyagi, S Goyal, S Jamal, D Wahi, R Jain, N Bharadvaja, ... Computational biology and chemistry 59, 37-47, 2015 | 53 | 2015 |
