Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors: binding energy analysis assisted by molecular docking, ADMET and molecular … RK Pandey, BV Kumbhar, S Srivastava, R Malik, S Sundar, A Kunwar, ... Journal of Biomolecular Structure and Dynamics 35 (1), 141-158, 2017 | 68 | 2017 |
Exploring dual inhibitory role of febrifugine analogues against Plasmodium utilizing structure-based virtual screening and molecular dynamic simulation RK Pandey, A Narula, M Naskar, S Srivastava, P Verma, R Malik, P Shah, ... Journal of Biomolecular Structure and Dynamics 35 (4), 791-804, 2017 | 45 | 2017 |
Exploration of docetaxel palmitate and its solid lipid nanoparticles as a novel option for alleviating the rising concern of multi-drug resistance L Kaushik, S Srivastava, A Panjeta, D Chaudhari, R Ghadi, K Kuche, ... International Journal of Pharmaceutics 578, 119088, 2020 | 27 | 2020 |
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 chemically diverse GABAA agonists as potential anti-epileptic agents using structure-guided virtual screening, ADMET, quantum mechanics and clinical … P Mehta, S Srivastava, M Sharma, I Singh, R Malik International journal of biological macromolecules 119, 1113-1128, 2018 | 14 | 2018 |
Polypropyleneimine and polyamidoamine dendrimer mediated enhanced solubilization of bortezomib: Comparison and evaluation of mechanistic aspects by thermodynamics and molecular … S Chaudhary, A Gothwal, I Khan, S Srivastava, R Malik, U Gupta Materials Science and Engineering: C 72, 611-619, 2017 | 14 | 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 | 13 | 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 PAP248-286 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 |
2-(chromon-3-yl) imidazole derivatives as potential antimicrobial agents: synthesis, biological evaluation and molecular docking studies S Sharma, V Sharma, G Singh, H Kaur, S Srivastava, MPS Ishar Journal of chemical biology 10, 35-44, 2017 | 10 | 2017 |
Mining of potential dipeptidyl peptidase-IV inhibitors as anti-diabetic agents using integrated in silico approaches S Sharma, S Srivastava, A Shrivastava, R Malik, F Almalki, K Saifullah, ... Journal of Biomolecular Structure and Dynamics 38 (18), 5349-5361, 2020 | 9 | 2020 |
Computational investigation for modeling the protein–protein interaction of TasA(28–261)–TapA(33–253): a decisive process in biofilm formation by Bacillus subtilis N Verma, S Srivastava, R Malik, JK Yadav, P Goyal, J Pandey Journal of Molecular Modeling 26, 1-16, 2020 | 9 | 2020 |
Design, synthesis and biological evaluation of selected 3-[3-(amino) propoxy] benzenamines as acetylcholinesterase inhibitors R Malik, R Gupta, S Srivastava, BS Choudhary, M Sharma Journal of Biomolecular Structure and Dynamics 35 (11), 2382-2394, 2017 | 8 | 2017 |
Inhibition and disintegration of Bacillus subtilis biofilm with small molecule inhibitors identified through virtual screening for targeting TasA(28-261), the major … N Verma, S Srivastava, R Malik, P Goyal, J Pandey Journal of Biomolecular Structure and Dynamics 41 (6), 2431-2447, 2023 | 7 | 2023 |
Computationally guided identification of Akt-3, a serine/threonine kinase inhibitors: Insights from homology modelling, structure-based screening, molecular dynamics and … S Srivastava, P Mehta, O Sharma, M Sharma, R Malik Journal of Biomolecular Structure and Dynamics 38 (14), 4179-4188, 2020 | 5 | 2020 |
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 |
Tandem MS-based metabolite profiling of 19, 20-epoxycytochalasin C reveals the importance of a hydroxy group at the C7 position for biological activity M Kushwaha, A Qayum, SK Jain, J Singh, AK Srivastava, S Srivastava, ... ACS omega 6 (5), 3717-3726, 2021 | 4 | 2021 |
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 |
Discovery of novel chemotypes for competitive AMPA receptor antagonists as potential antiepileptic agents through structure-based virtual screening of natural products library P Mehta, S Srivastava, M Sharma, R Malik Structural Chemistry 30, 1159-1172, 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 |