Neelutpal Gogoi

Toward a treatment of antibacterial and antifungal infections: Design, synthesis and in vitro activity of novel arylhydrazothiazolylsulfonamides analogues and their insight of DFT, docking and molecular dynamic simulations

Ismail M. M. Othman, Mahmoud H. Mahross, Mohamed A. M. Gad‐Elkareem et al. · Journal of Molecular Structure · 2021 · 104 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation

Bhaskarjyoti Gogoi, Purvita Chowdhury, Nabajyoti Goswami et al. · Molecular Diversity · 2021 · 97 citations · Full text

Pharmacy, Infectious Diseases, Medicinal Chemistry +17

Repurposing of phytomedicine-derived bioactive compounds with promising anti-SARS-CoV-2 potential: Molecular docking, MD simulation and drug-likeness/ADMET studies

Mithun Rudrapal, Neelutpal Gogoi, Dipak Chetia et al. · Saudi Journal of Biological Sciences · 2021 · 84 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +16

Design, Synthesis, Molecular Docking, Molecular Dynamics and <i>In Vivo</i> Antimalarial Activity of New Dipeptide‐Sulfonamides

James A. Ezugwu, Uchechukwu C. Okoro, Mercy A. Ezeokonkwo et al. · ChemistrySelect · 2022 · 52 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Design, molecular docking, drug-likeness, and molecular dynamics studies of 1,2,4-trioxane derivatives as novel Plasmodium falciparum falcipain-2 (FP-2) inhibitors

Subham Ghosh, Dipak Chetia, Neelutpal Gogoi et al. · BioTechnologia · 2021 · 50 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17