Molecular docking and molecular dynamics simulation based approach to explore the dual inhibitor against HIV-1 reverse transcriptase and Integrase S Chander, RK Pandey, A Penta, BS Choudhary, M Sharma, R Malik, ... Combinatorial chemistry & high throughput screening 20 (8), 734-746, 2017 | 24 | 2017 |
Guanidine-based β amyloid precursor protein cleavage enzyme 1 (BACE-1) inhibitors for the Alzheimer's disease (AD): A review P Gehlot, S Kumar, VK Vyas, BS Choudhary, M Sharma, R Malik Bioorganic & Medicinal Chemistry 74, 117047, 2022 | 17 | 2022 |
Structure-based screening, ADMET profiling, and molecular dynamic studies on mGlu2 receptor for identification of newer antiepileptic agents R Malik, P Mehta, S Srivastava, BS Choudhary, M Sharma Journal of Biomolecular Structure and Dynamics 35 (16), 3433-3448, 2017 | 17 | 2017 |
Identification of novel acetylcholinesterase inhibitors through e-pharmacophore-based virtual screening and molecular dynamics simulations R Malik, BS Choudhary, S Srivastava, P Mehta, M Sharma Journal of Biomolecular Structure and Dynamics 35 (15), 3268-3284, 2017 | 14 | 2017 |
Pharmacophore modeling, 3D-QSAR, and in silico ADME prediction of N-pyridyl and pyrimidine benzamides as potent antiepileptic agents R Malik, P Mehta, S Srivastava, BS Choudhary, M Sharma Journal of Receptors and Signal Transduction 37 (3), 259-266, 2017 | 11 | 2017 |
High throughput virtual screening and in silico ADMET analysis for rapid and efficient identification of potential PAP 248-286 aggregation inhibitors as anti-HIV agents R Malik, D Bunkar, BS Choudhary, S Srivastava, P Mehta, M Sharma Journal of Molecular Structure 1122, 239-246, 2016 | 11 | 2016 |
Design, synthesis and biological evaluation of selected 3-[3-(amino) propoxy] benzenamines as acetylcholinesterase inhibitors MS Ruchi Malik, Richa Gupta, Shubham Srivastava, Bhanwar Singh Choudhary Journal of Biomolecular Structure and Dynamics 35 (11), 2382-2394, 2017 | 8 | 2017 |
Pharmacophore modeling and 3D-QSAR studies of galloyl benzamides as potent P-gp inhibitors S Srivastava, BS Choudhary, M Sharma, R Malik Medicinal Chemistry Research 25, 1140-1147, 2016 | 5 | 2016 |
G9a inhibition promotes neuroprotection through GMFB regulation in Alzheimer’s disease A Bellver-Sanchis, Q Geng, G Navarro, PA Ávila-López, ... Aging and disease 15 (1), 311, 2024 | 4 | 2024 |
Structure‐Based Virtual Screening and in vitro and in vivo Analyses Revealed Potent Methyltransferase G9a Inhibitors as Prospective Anti‐Alzheimer's Agents A Bellver‐Sanchis, B Singh Choudhary, J Companys‐Alemany, Sukanya, ... ChemMedChem 17 (13), e202200002, 2022 | 4 | 2022 |
Determination of comprehensive in silico determinants as a strategy for identification of novel PI3Kα inhibitors S Srivastava, A Vengamthodi, I Singh, BS Choudhary, M Sharma, R Malik Structural Chemistry 30, 1761-1778, 2019 | 4 | 2019 |
Molecular dynamics insights for PI3K-δ inhibition & structure guided identification of novel PI3K-δ inhibitors S Srivastava, B Singh Choudhary, P Mehta, Sukanya, M Sharma, R Malik Journal of Biomolecular Structure and Dynamics 37 (9), 2404-2414, 2019 | 4 | 2019 |
Discovery of thiazolidin-4-one analogue as selective GSK-3β inhibitor through structure based virtual screening BS Choudhary, P Mehta, S Bach, S Ruchaud, T Robert, B Josselin, ... Bioorganic & Medicinal Chemistry Letters 52, 128375, 2021 | 3 | 2021 |
Probing voltage sensing domain of KCNQ2 channel as a potential target to combat epilepsy: a comparative study RM Pakhuri Mehta, Shubham Srivastava, Bhanwar Singh Choudhary, Manish Sharma Journal of Receptors and Signal Transduction, 2017 | 3 | 2017 |
Identification of CNS compatible small molecules as glycogen synthase kinase-3β (GSK-3β) inhibitors through structure-based virtual screening S Sukanya, BS Choudhary, P Mehta, S Filipek, R Malik Medicinal Chemistry Research 31 (9), 1545-1557, 2022 | 1 | 2022 |
Structure-based virtual screening, biological assessment, and MD simulation studies of novel CNS compatible GSK-3β inhibitors as potential Alzheimer’s disease therapeutics. S Sukanya, BS Choudhary, P Mehta, S Filipek, R Malik | 1 | 2022 |
Dual Specificity Tyrosine Phosphorylation-Regulated Kinase 1A (DYRK1A) Inhibitors: The Quest for a Disease-Modifying Treatment for Alzheimer’s Disease Sukanya, BG Prajapati, VM Patil, BS Choudhary Deciphering Drug Targets for Alzheimer’s Disease, 69-94, 2023 | | 2023 |
Analogues designing for dephosphorylation of acetylcholinesterase enzyme N Darmwal, BK Singh, BS Choudhary, B Sankar, N Shanti Indian Journal of Chemistry-Section B (IJC-B) 60 (6), 856-865, 2021 | | 2021 |