Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: structure-based virtual screening, molecular docking and molecular dynamics simulation studies P Purohit, S Sahoo, M Panda, PS Sahoo, BR Meher Journal of Molecular Modeling 28 (11), 365, 2022 | 16 | 2022 |
Structure-based virtual screening, ADMET profiling, and molecular dynamics simulation studies on HIV-1 protease for identification of active phytocompounds as potential anti … M Panda, P Purohit, BR Meher Molecular Simulation 48 (11), 1031-1049, 2022 | 7 | 2022 |
Functionalized carbon nanotubes as an alternative to traditional anti-HIV-1 protease inhibitors: An understanding towards Nano-medicine development through MD simulations M Panda, P Purohit, Y Wang, BR Meher Journal of Molecular Graphics and Modelling 117, 108280, 2022 | 5 | 2022 |
Evaluating the Antiviral Potential of Phytocompounds from Mesua ferrea against SARS‐CoV‐2 Main Protease: Structure‐Based Virtual Screening and Molecular … P Purohit, PS Sahoo, M Panda, K Kabasi, SK Senapati, BR Meher ChemistrySelect 8 (39), e202302295, 2023 | 4 | 2023 |
Evaluation of the inhibitory potency of anti-dengue phytocompounds against DENV-2 NS2B-NS3 protease: virtual screening, ADMET profiling and molecular dynamics simulation … P Purohit, D Barik, S Agasti, M Panda, BR Meher Journal of Biomolecular Structure and Dynamics, 1-20, 2023 | 4 | 2023 |
Molecular surveillance of Kelch-13 gene in Plasmodium falciparum field isolates from Mayurbhanj District, Odisha, India, and in silico artemisinin-Kelch-13 protein … LK Murmu, M Panda, BR Meher, P Purohit, J Behera, TK Barik Parasitology Research 122 (3), 717-727, 2023 | 1 | 2023 |