| Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors VK Bhardwaj, R Singh, J Sharma, V Rajendran, R Purohit, S Kumar Journal of Biomolecular Structure and Dynamics 39 (10), 3449-3458, 2021 | 357 | 2021 |
| An in-silico evaluation of different bioactive molecules of tea for their inhibition potency against non structural protein-15 of SARS-CoV-2 J Sharma, VK Bhardwaj, R Singh, V Rajendran, R Purohit, S Kumar Food chemistry 346, 128933, 2021 | 192 | 2021 |
| Evaluation of acridinedione analogs as potential SARS-CoV-2 main protease inhibitors and their comparison with repurposed anti-viral drugs VK Bhardwaj, R Singh, P Das, R Purohit Computers in Biology and Medicine 128, 104117, 2021 | 101 | 2021 |
| Identification of potential plant bioactive as SARS-CoV-2 Spike protein and human ACE2 fusion inhibitors R Singh, VK Bhardwaj, J Sharma, D Kumar, R Purohit Computers in Biology and Medicine 136, 104631, 2021 | 99 | 2021 |
| In-silico evaluation of bioactive compounds from tea as potential SARS-CoV-2 nonstructural protein 16 inhibitors R Singh, VK Bhardwaj, J Sharma, R Purohit, S Kumar Journal of traditional and complementary medicine 12 (1), 35-43, 2022 | 91 | 2022 |
| Identification of a novel binding mechanism of Quinoline based molecules with lactate dehydrogenase of Plasmodium falciparum R Singh, V Bhardwaj, R Purohit Journal of Biomolecular Structure and Dynamics 39 (1), 348-356, 2021 | 84 | 2021 |
| Potential of turmeric-derived compounds against RNA‐dependent RNA polymerase of SARS‐CoV‐2: an in-silico approach R Singh, VK Bhardwaj, R Purohit Computers in Biology and Medicine 139, 104965, 2021 | 77 | 2021 |
| Identification of naturally originated molecules as γ-aminobutyric acid receptor antagonist J Sharma, VK Bhardwaj, P Das, R Purohit Journal of Biomolecular Structure and Dynamics 39 (3), 911-922, 2021 | 75 | 2021 |
| A computational approach for rational discovery of inhibitors for non-structural protein 1 of SARS-CoV-2 R Singh, VK Bhardwaj, P Das, R Purohit Computers in biology and medicine 135, 104555, 2021 | 74 | 2021 |
| Targeting the protein-protein interface pocket of Aurora-A-TPX2 complex: rational drug design and validation VK Bhardwaj, R Purohit Journal of Biomolecular Structure and Dynamics 39 (11), 3882-3891, 2021 | 73 | 2021 |
| Discovery and in silico evaluation of aminoarylbenzosuberene molecules as novel checkpoint kinase 1 inhibitor determinants R Singh, VK Bhardwaj, J Sharma, P Das, R Purohit Genomics 113 (1), 707-715, 2021 | 70 | 2021 |
| Computational investigation on effect of mutations in PCNA resulting in structural perturbations and inhibition of mismatch repair pathway V Bhardwaj, R Purohit Journal of Biomolecular Structure and Dynamics, 2020 | 70 | 2020 |
| Target identification, screening and in vivo evaluation of pyrrolone-fused benzosuberene compounds against human epilepsy using Zebrafish model of … G Tanwar, AG Mazumder, V Bhardwaj, S Kumari, R Bharti, fnm Yamini, ... Scientific Reports 9 (1), 7904, 2019 | 68 | 2019 |
| Himalayan bioactive molecules as potential entry inhibitors for the human immunodeficiency virus VK Bhardwaj, R Purohit, S Kumar Food Chemistry 347, 128932, 2021 | 67 | 2021 |
| Identification of acridinedione scaffolds as potential inhibitor of DENV‐2 C protein: An in silico strategy to combat dengue S Kumar, VK Bhardwaj, R Singh, P Das, R Purohit Journal of Cellular Biochemistry 123 (5), 935-946, 2022 | 65 | 2022 |
| Natural analogues inhibiting selective cyclin-dependent kinase protein isoforms: a computational perspective R Singh, V Bhardwaj, P Das, R Purohit Journal of Biomolecular Structure and Dynamics 38 (17), 5126-5135, 2020 | 62 | 2020 |
| A new insight into protein-protein interactions and the effect of conformational alterations in PCNA VK Bhardwaj, R Purohit International Journal of Biological Macromolecules 148, 999-1009, 2020 | 62 | 2020 |
| A lesson for the maestro of the replication fork: targeting the protein‐binding interface of proliferating cell nuclear antigen for anticancer therapy VK Bhardwaj, R Purohit Journal of Cellular Biochemistry 123 (6), 1091-1102, 2022 | 60 | 2022 |
| Structural based study to identify new potential inhibitors for dual specificity tyrosine-phosphorylation-regulated kinase VK Bhardwaj, R Singh, J Sharma, P Das, R Purohit Computer Methods and Programs in Biomedicine 194, 105494, 2020 | 60 | 2020 |
| Computational targeting of allosteric site of MEK1 by quinoline‐based molecules R Singh, VK Bhardwaj, R Purohit Cell Biochemistry and Function 40 (5), 481-490, 2022 | 59 | 2022 |