| Ligand-based pharmacophore modeling, virtual screening and molecular docking studies for discovery of potential topoisomerase I inhibitors S Pal, V Kumar, B Kundu, D Bhattacharya, N Preethy, MP Reddy, ... Computational and structural biotechnology journal 17, 291-310, 2019 | 130 | 2019 |
| Development of a simple, interpretable and easily transferable QSAR model for quick screening antiviral databases in search of novel 3C-like protease (3CLpro) enzyme inhibitors … V Kumar, K Roy SAR and QSAR in Environmental Research 31 (7), 511-526, 2020 | 70 | 2020 |
| Aptamer-functionalized drug nanocarrier improves hepatocellular carcinoma toward normal by targeting neoplastic hepatocytes S Chakraborty, ZY Dlie, S Chakraborty, S Roy, B Mukherjee, SE Besra, ... Molecular Therapy-Nucleic Acids 20, 34-49, 2020 | 37 | 2020 |
| In silico modeling for dual inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes in Alzheimer’s disease V Kumar, A Saha, K Roy Computational Biology and Chemistry 88, 107355, 2020 | 36 | 2020 |
| Ecotoxicological QSTR and QSTTR modeling for the prediction of acute oral toxicity of pesticides against multiple avian species RK Mukherjee, V Kumar, K Roy Environmental Science & Technology 56 (1), 335-348, 2021 | 31 | 2021 |
| Quick and efficient quantitative predictions of androgen receptor binding affinity for screening endocrine disruptor chemicals using 2D-QSAR and chemical read-across A Banerjee, P De, V Kumar, S Kar, K Roy Chemosphere 309, 136579, 2022 | 28 | 2022 |
| In silico modeling for quick prediction of inhibitory activity against 3CLpro enzyme in SARS CoV diseases P De, S Bhayye, V Kumar, K Roy Journal of Biomolecular Structure and Dynamics 40 (3), 1010-1036, 2022 | 26 | 2022 |
| Exploring 2D-QSAR for prediction of beta-secretase 1 (BACE1) inhibitory activity against Alzheimer’s disease V Kumar, PK Ojha, A Saha, K Roy SAR and QSAR in Environmental Research 31 (2), 87-133, 2020 | 23 | 2020 |
| Chemometric modeling of plant protection products (PPPs) for the prediction of acute contact toxicity against honey bees (A. mellifera): A 2D-QSAR approach RK Mukherjee, V Kumar, K Roy Journal of Hazardous Materials 423, 127230, 2022 | 21 | 2022 |
| A multi-layered variable selection strategy for QSAR modeling of butyrylcholinesterase inhibitors V Kumar, P De, PK Ojha, A Saha, K Roy Current Topics in Medicinal Chemistry 20 (18), 1601-1627, 2020 | 20 | 2020 |
| Recent advances in quantitative structure–activity relationship models of antimalarial drugs PK Ojha, V Kumar, J Roy, K Roy Expert Opinion on Drug Discovery 16 (6), 659-695, 2021 | 16 | 2021 |
| Amalgamation of in-silico, in-vitro and in-vivo approach to establish glabridin as a potential CYP2E1 inhibitor S Bhatt, V Kumar, A Dogra, PK Ojha, P Wazir, PL Sangwan, G Singh, ... Xenobiotica 51 (6), 625-635, 2021 | 15 | 2021 |
| Repurposing FDA approved drugs as possible anti-SARS-CoV-2 medications using ligand-based computational approaches: sum of ranking difference-based model selection P De, V Kumar, S Kar, K Roy, J Leszczynski Structural Chemistry 33 (5), 1741-1753, 2022 | 14 | 2022 |
| Risk assessment of aromatic organic chemicals to T. pyriformis in environmental protection using regression-based QSTR and Read-Across algorithm A Kumar, T Podder, V Kumar, PK Ojha Process Safety and Environmental Protection 170, 842-854, 2023 | 12 | 2023 |
| Preparation and evaluation of diosmin-loaded diphenylcarbonate-cross-linked cyclodextrin nanosponges for breast cancer therapy MK Anwer, MM Ahmed, MF Aldawsari, M Iqbal, V Kumar Pharmaceuticals 16 (1), 19, 2022 | 12 | 2022 |
| Assessment of the CYP1A2 Inhibition-Mediated Drug Interaction Potential for Pinocembrin Using In Silico, In Vitro, and In Vivo Approaches S Bhatt, S Dhiman, V Kumar, A Gour, D Manhas, K Sharma, PK Ojha, ... ACS omega 7 (23), 20321-20331, 2022 | 12 | 2022 |
| Multi-target QSAR modeling for the identification of novel inhibitors against Alzheimer's disease V Kumar, A Saha, K Roy Chemometrics and Intelligent Laboratory Systems 233, 104734, 2023 | 11 | 2023 |
| Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study V Kumar, S Kar, P De, K Roy, J Leszczynski SAR and QSAR in Environmental Research 33 (5), 357-386, 2022 | 11 | 2022 |
| Effect of Myricetin on CYP2C8 Inhibition to Assess the Likelihood of Drug Interaction Using In Silico, In Vitro, and In Vivo Approaches S Bhatt, D Manhas, V Kumar, A Gour, K Sharma, A Dogra, PK Ojha, ... ACS omega 7 (15), 13260-13269, 2022 | 9 | 2022 |
| In silico modeling of small molecule carboxamides as inhibitors of SARS-CoV 3CL protease: an approach towards combating COVID-19 PM Khan, V Kumar, K Roy Combinatorial Chemistry & High Throughput Screening 24 (8), 1281-1299, 2021 | 8 | 2021 |
KUNAL ROYProfessor, Jadavpur University, DTC Laboratory, Dept. Pharmaceutical Technology, IndiaVerified email at jadavpuruniversity.in
