| Molecular docking and simulation studies on SARS-CoV-2 Mpro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19 KB Lokhande, S Doiphode, R Vyas, KV Swamy Journal of Biomolecular Structure and Dynamics 39 (18), 7294-7305, 2021 | 105 | 2021 |
| Molecular interaction studies of Deguelin and its derivatives with Cyclin D1 and Cyclin E in cancer cell signaling pathway: The computational approach KB Lokhande, S Nagar, KV Swamy Scientific reports 9 (1), 1778, 2019 | 40 | 2019 |
| Sensing the interactions between carbohydrate-binding agents and N-linked glycans of SARS-CoV-2 spike glycoprotein using molecular docking and simulation … KB Lokhande, GR Apte, A Shrivastava, A Singh, JK Pal, KV Swamy, ... Journal of Biomolecular Structure and Dynamics 40 (9), 3880-3898, 2022 | 36 | 2022 |
| Probing intermolecular interactions and binding stability of kaempferol, quercetin and resveratrol derivatives with PPAR-γ: docking, molecular dynamics and MM/GBSA approach to … KB Lokhande, S Ballav, RS Yadav, KV Swamy, S Basu Journal of Biomolecular Structure and Dynamics 40 (3), 971-981, 2022 | 36 | 2022 |
| Biflavonoids from Rhus succedanea as probable natural inhibitors against SARS-CoV-2: a molecular docking and molecular dynamics approach K Lokhande, N Nawani, S K. Venkateswara, S Pawar Journal of Biomolecular Structure and Dynamics 40 (10), 4376-4388, 2022 | 35 | 2022 |
| Antioxidant, anti-quorum sensing, biofilm inhibitory activities and chemical composition of Patchouli essential oil: in vitro and in silico approach A Mansuri, K Lokhande, S Kore, S Gaikwad, N Nawani, KV Swamy, ... Journal of Biomolecular Structure and Dynamics 40 (1), 154-165, 2022 | 31 | 2022 |
| High throughput virtual screening and molecular dynamics simulation analysis of phytomolecules against BfmR of Acinetobacter baumannii: anti-virulent drug … KB Lokhande, SV Pawar, S Madkaiker, N Nawani, SK Venkateswara, ... Journal of Biomolecular Structure and Dynamics 41 (7), 2698-2712, 2023 | 22 | 2023 |
| Exploring conformational changes of PPAR-Ɣ complexed with novel kaempferol, quercetin, and resveratrol derivatives to understand binding mode assessment: a small-molecule … KB Lokhande, S Ballav, N Thosar, KV Swamy, S Basu Journal of Molecular Modeling 26, 1-12, 2020 | 22 | 2020 |
| Molecular modeling, docking, dynamics and simulation of gefitinib and its derivatives with EGFR in non-small cell lung cancer PS Reddy, KB Lokhande, S Nagar, VD Reddy, PS Murthy, KV Swamy Current computer-aided drug design 14 (3), 246-252, 2018 | 22 | 2018 |
| Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation KB Lokhande, P Ghosh, S Nagar, K Venkateswara Swamy Molecular diversity, 1-15, 2022 | 21 | 2022 |
| An in silico scientific basis for LL‐37 as a therapeutic for Covid‐19 KB Lokhande, T Banerjee, KV Swamy, P Ghosh, M Deshpande Proteins: Structure, Function, and Bioinformatics 90 (5), 1029-1043, 2022 | 21 | 2022 |
| Mutational analysis in international isolates and drug repurposing against SARS-CoV-2 spike protein: molecular docking and simulation approach S Pulakuntla, KB Lokhande, P Padmavathi, M Pal, KV Swamy, ... VirusDisease 32, 690-702, 2021 | 21 | 2021 |
| Computational data of phytoconstituents from Hibiscus rosa-sinensis on various anti-obesity targets SP Gandhi, KB Lokhande, VK Swamy, RK Nanda, SS Chitlange Data in brief 24, 103994, 2019 | 20 | 2019 |
| In Silico Exploration of Phytoconstituents From Phyllanthus emblica and Aegle marmelos as Potential Therapeutics Against SARS-CoV-2 RdRp K Pandey, KB Lokhande, KV Swamy, S Nagar, M Dake Bioinformatics and Biology Insights 15, 11779322211027403, 2021 | 18 | 2021 |
| In vivo and molecular docking studies using whole extract and phytocompounds of Aegle marmelos fruit protective effects against isoproterenol-induced myocardial infarction in rats GS Krushna, VL Shivaranjani, J Umamaheswari, C Srinivasulu, ... Biomedicine & Pharmacotherapy 91, 880-889, 2017 | 18 | 2017 |
| Carbohydrate-binding agents: Potential of repurposing for COVID-19 therapy RK Gupta, GR Apte, KB Lokhande, S Mishra, JK Pal Current Protein and Peptide Science 21 (11), 1085-1096, 2020 | 17 | 2020 |
| K Venkateswara S, Pawar S (2020) Biflavonoids from Rhus succedanea as probable natural inhibitors against SARS-CoV-2: a molecular docking and molecular dynamics approach [pre … K Lokhande, N Nawani J Biomol Struct Dyn, 1-13, 2020 | 16* | 2020 |
| Molecular profiling of multidrug-resistant river water isolates: insights into resistance mechanism and potential inhibitors PP Yewale, KB Lokhande, A Sridhar, M Vaishnav, FA Khan, A Mandal, ... Environmental Science and Pollution Research 27, 27279-27292, 2020 | 15 | 2020 |
| GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 Mpro P More-Adate, KB Lokhande, KV Swamy, S Nagar, A Baheti Computers in Biology and Medicine 147, 105679, 2022 | 14 | 2022 |
| In silico discovery of potent inhibitors against monkeypox’s major structural proteins KB Lokhande, A Shrivastava, A Singh Journal of Biomolecular Structure and Dynamics 41 (23), 14259-14274, 2023 | 12 | 2023 |
K.Venkateswara swamyMIT School of Bioengineering Sciences and ResearchVerified email at mituniversity.edu.in
