Himanshu A. Pandya

Pinpointing the potential hits for hindering interaction of SARS-CoV-2 S-protein with ACE2 from the pool of antiviral phytochemicals utilizing molecular docking and molecular dynamics (MD) simulations

Chirag Patel, Dweipayan Goswami, Dharmesh G. Jaiswal et al. · Journal of Molecular Graphics and Modelling · 2021 · 58 citations · Full text

Engineering, Biochemistry, Medicine +9

Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation

Chirag Patel, Sivakumar Prasanth Kumar, Himanshu A. Pandya et al. · Molecular Diversity · 2020 · 49 citations · Full text

Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations

Chirag Patel, Siddhi P. Jani, Dharmesh G. Jaiswal et al. · Scientific Reports · 2021 · 45 citations · Full text

Novel isoniazid-spirooxindole derivatives: design, synthesis, biological evaluation, in silico ADMET prediction and computational studies

Mayuri A. Borad, Divya J. Jethava, Manoj N. Bhoi et al. · Journal of Molecular Structure · 2020 · 26 citations

Combinatorial Chemistry, Medicinal Chemistry, Derivative (Chemistry) +10

Repurposing of anticancer phytochemicals for identifying potential fusion inhibitor for SARS-CoV-2 using molecular docking and molecular dynamics (MD) simulations

Chirag Patel, Dweipayan Goswami, Sivakumar Prasanth Kumar et al. · Journal of Biomolecular Structure and Dynamics · 2021 · 22 citations