James H. Zothantluanga

Identification of bioactive molecules from Triphala (Ayurvedic herbal formulation) as potential inhibitors of SARS-CoV-2 main protease (Mpro) through computational investigations

Mithun Rudrapal, İsmail Çeli̇k, Johra Khan et al. · Journal of King Saud University - Science · 2022 · 75 citations · Full text

Antiviral phytocompounds “ellagic acid” and “(+)-sesamin” of Bridelia retusa identified as potential inhibitors of SARS-CoV-2 3CL pro using extensive molecular docking, molecular dynamics simulation studies, binding free energy calculations, and bioactivity prediction

Abd. Kakhar Umar, James H. Zothantluanga, Keerthic Aswin et al. · Structural Chemistry · 2022 · 52 citations · Full text

Molecular Pharmacology, Biochemistry, Medicine +12

Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies

Mithun Rudrapal, İsmail Çeli̇k, Sampath Chinnam et al. · Saudi Journal of Biological Sciences · 2022 · 49 citations · Full text

Molecular Docking, Medicinal Chemistry, Biochemistry +14

Cerebroprotective effect of Aloe Emodin: In silico and in vivo studies

Praveen Kumar Pasala, Rizwaan Abbas Shaik, Mithun Rudrapal et al. · Saudi Journal of Biological Sciences · 2021 · 46 citations · Full text

Computational Investigations for Identification of Bioactive Molecules from <i>Baccaurea ramiflora</i> and <i>Bergenia ciliata</i> as Inhibitors of SARS-CoV-2 M^pro

James H. Zothantluanga, Mohnad Abdalla, Mithun Rudrapal et al. · Polycyclic aromatic compounds · 2022 · 45 citations

Drug Target, Chemical Biology, Computational Investigations +17