Nishant Shekhar

In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain)

Phulen Sarma, Nishant Shekhar, Manisha Prajapat et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 220 citations · Full text

Life Sciences, Bioinformatics, Pharmacology +17

Virtual screening and molecular dynamics study of approved drugs as inhibitors of spike protein S1 domain and ACE2 interaction in SARS-CoV-2

Manisha Prajapat, Nishant Shekhar, Phulen Sarma et al. · Journal of Molecular Graphics and Modelling · 2020 · 86 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Computational basis of SARS-CoV 2 main protease inhibition: an insight from molecular dynamics simulation based findings

Pramod Avti, Arushi Chauhan, Nishant Shekhar et al. · Journal of Biomolecular Structure and Dynamics · 2021 · 43 citations · Full text

Pharmacy, Medicinal Chemistry, Molecular Biology +17

Efficacy of green tea, its polyphenols and nanoformulation in experimental colitis and the role of non-canonical and canonical nuclear factor kappa beta (NF-kB) pathway: a preclinical in-vivo and in-silico exploratory study

Shoban Babu Varthya, Phulen Sarma, Alka Bhatia et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 35 citations

Medicine, Immunology, Pharmacology +17

<i>In Silico</i> Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dynamics and Binding Free Energy Calculations

Nishant Shekhar, Phulen Sarma, Manisha Prajapat et al. · mSystems · 2020 · 27 citations · Full text

Pharmacy, Molecular Biology, Pharmacology +17