| In silico screening of natural compounds against COVID-19 by targeting Mpro and ACE2 using molecular docking. T Joshi, P Sharma, S Mathpal, H Pundir, V Bhatt, S Chandra European Review for Medical & Pharmacological Sciences 24 (8), 2020 | 233 | 2020 |
| Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19 T Joshi, P Sharma, T Joshi, H Pundir, S Mathpal, S Chandra Molecular Diversity 25, 1665-1677, 2021 | 59 | 2021 |
| Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease T Joshi, T Joshi, H Pundir, P Sharma, S Mathpal, S Chandra Journal of Biomolecular Structure and Dynamics 39 (17), 6728-6746, 2021 | 48 | 2021 |
| A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor S Mathpal, T Joshi, P Sharma, T Joshi, H Pundir, V Pande, S Chandra Journal of Biomolecular Structure and Dynamics 40 (3), 1084-1100, 2022 | 27 | 2022 |
| Molecular docking and molecular dynamics simulation approaches for evaluation of laccase-mediated biodegradation of various industrial dyes V Pande, T Joshi, SC Pandey, D Sati, S Mathpal, V Pande, S Chandra, ... Journal of Biomolecular Structure and Dynamics 40 (23), 12461-12471, 2022 | 20 | 2022 |
| In silico identification of antidiabetic target for phytochemicals of A. marmelos and mechanistic insights by molecular dynamics simulations P Sharma, T Joshi, S Mathpal, S Chandra, S Tamta Journal of Biomolecular Structure and Dynamics 40 (21), 10543-10560, 2022 | 19 | 2022 |
| Screening of potential bio-molecules from Moringa olifera against SARS-CoV-2 main protease using computational approaches S Mathpal, P Sharma, T Joshi, T Joshi, V Pande, S Chandra Journal of Biomolecular Structure and Dynamics 40 (20), 9885-9896, 2022 | 15 | 2022 |
| Computational investigation of drug bank compounds against 3C-like protease (3CLpro) of SARS-CoV-2 using deep learning and molecular dynamics simulation T Joshi, P Sharma, S Mathpal, T Joshi, P Maiti, M Nand, V Pande, ... Molecular Diversity, 1-14, 2022 | 14 | 2022 |
| Using Chou’s 5-steps rule to study pharmacophore-based virtual screening of SARS-CoV-2 Mpro inhibitors H Pundir, T Joshi, T Joshi, P Sharma, S Mathpal, S Chandra, S Tamta Molecular Diversity 25, 1731-1744, 2021 | 12 | 2021 |
| Assessment of activity of chalcone compounds as inhibitors of 3-chymotrypsin like protease (3CLPro) of SARS-CoV-2: in silico study S Mathpal, T Joshi, P Sharma, V Pande, S Chandra Structural chemistry 33 (5), 1815-1831, 2022 | 11 | 2022 |
| Identification of zinc-binding inhibitors of matrix metalloproteinase-9 to prevent cancer through deep learning and molecular dynamics simulation approach S Mathpal, P Sharma, T Joshi, V Pande, S Mahmud, MK Jeong, ... Frontiers in Molecular Biosciences 9, 857430, 2022 | 11 | 2022 |
| Integrated machine learning and chemoinformatics-based screening of mycotic compounds against kinesin spindle proteinEg5 for lung cancer therapy P Maiti, P Sharma, M Nand, ID Bhatt, MA Ramakrishnan, S Mathpal, ... Molecules 27 (5), 1639, 2022 | 9 | 2022 |
| In silico screening of natural compounds to inhibit interaction of human ACE2 receptor and spike protein of SARS-CoV-2 for the prevention of COVID-19 P Sharma, T Joshi, T Joshi, S Mathpal, P Maiti, M Nand, S Chandra, ... Journal of Biomolecular Structure and Dynamics 41 (2), 646-658, 2023 | 8 | 2023 |
| Repurposing of FDA approved drugs against Salmonella enteric serovar Typhi by targeting dihydrofolate reductase: an in silico study T Joshi, P Sharma, T Joshi, S Mathpal, V Pande, S Chandra Journal of Biomolecular Structure and Dynamics 40 (8), 3731-3744, 2022 | 8 | 2022 |
| Recent advances on computational approach towards potential drug discovery against leishmaniasis T Joshi, P Sharma, T Joshi, S Mathpal, SC Pandey, A Pandey, S Chandra Pathogenesis, treatment and prevention of Leishmaniasis, 63-84, 2021 | 5 | 2021 |
| In silico screening of chalcone derivatives as promising EGFR-TK inhibitors for the clinical treatment of cancer S Mathpal, T Joshi, P Sharma, P Maiti, M Nand, V Pande, S Chandra 3 Biotech 14 (1), 18, 2024 | 4 | 2024 |
| Genomic assortment and interactive insights of the chromosomal encoded control of cell death (ccd) toxin-antitoxin (TA) module in Xenorhabdus nematophila S Chaudhary, M Yadav, S Mathpal, S Chandra, JS Rathore Journal of Biomolecular Structure and Dynamics 41 (15), 7032-7044, 2023 | 4 | 2023 |
| Structure-based screening of novel lichen compounds for SARS coronavirus main protease (Mpro) and angiotensin-converting enzyme 2 (ACE2) inhibitory potentials as multi-target … T Joshi, P Sharma, H Pundir, S Mathpal, S Chandra | 3 | 2020 |
| Molecular Docking Study of drug molecules from Drug Bank database against COVID-19 Mpro protein T Joshi, S Mathpal, P Sharma, T JOSHI, H Pundir, P Maiti, M Nand, ... OSF, 2020 | 3 | 2020 |
| Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and simulation … P Maiti, M Nand, S Mathpal, S Wahab, JC Kuniyal, P Sharma, T Joshi, ... Journal of Biomolecular Structure and Dynamics, 1-14, 2023 | 2 | 2023 |
