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 |
Binding interaction of glyphosate with glyphosate oxidoreductase and C–P lyase: Molecular docking and molecular dynamics simulation studies P Bhatt, T Joshi, K Bhatt, W Zhang, Y Huang, S Chen Journal of Hazardous Materials 409, 124927, 2021 | 127 | 2021 |
Molecular docking and molecular dynamics simulation approach to screen natural compounds for inhibition of Xanthomonas oryzae pv. Oryzae by targeting … T Joshi, T Joshi, P Sharma, S Chandra, V Pande Journal of Biomolecular Structure and Dynamics 39 (3), 823-840, 2021 | 94 | 2021 |
In silico screening of potential antidiabetic phytochemicals from Phyllanthus emblica against therapeutic targets of type 2 diabetes P Sharma, T Joshi, T Joshi, S Chandra, S Tamta Journal of ethnopharmacology 248, 112268, 2020 | 80 | 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 |
In silico screening of anti-inflammatory compounds from Lichen by targeting cyclooxygenase-2 T Joshi, P Sharma, T Joshi, S Chandra Journal of Biomolecular Structure and Dynamics 38 (12), 3544-3562, 2020 | 50 | 2020 |
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 |
Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants P Sharma, T Joshi, T Joshi, S Chandra, S Tamta Journal of Biomolecular Structure and Dynamics 39 (17), 6524-6538, 2021 | 46 | 2021 |
Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis M Nand, P Maiti, T Joshi, S Chandra, V Pande, JC Kuniyal, ... Scientific Reports 10 (1), 20397, 2020 | 45 | 2020 |
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 |
Biodegradation of toxic dyes: a comparative study of enzyme action in a microbial system V Pande, SC Pandey, T Joshi, D Sati, S Gangola, S Kumar, M Samant Smart bioremediation technologies, 255-287, 2019 | 24 | 2019 |
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 | 15 | 2022 |
Identification of luteolin -7-glucoside and epicatechin gallate from Vernonia cinerea, as novel EGFR L858R kinase inhibitors against lung cancer: Docking and … P Maiti, M Nand, T Joshi, MA Ramakrishnan, S Chandra Journal of Biomolecular Structure and Dynamics 39 (14), 5048-5057, 2021 | 15 | 2021 |
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 |
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 | 13 | 2022 |
In silico identification of natural fungicide from Melia azedarach against isocitrate lyase of Fusarium graminearum T Joshi, T Joshi, P Sharma, H Pundir, S Chandra Journal of Biomolecular Structure and Dynamics 39 (13), 4816-4834, 2021 | 13 | 2021 |
Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques T Joshi, SC Pandey, P Maiti, M Tripathi, A Paliwal, M Nand, P Sharma, ... Plos one 16 (6), e0252759, 2021 | 13 | 2021 |
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 |
Toward an enhanced understanding of plant growth promoting microbes for sustainable agriculture D Sati, SC Pandey, V Pande, S Upreti, V Gouri, T Joshi, S Gangola, ... Recent advancements in microbial diversity, 87-112, 2020 | 12 | 2020 |