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Amit Dubey
Researcher at Allahabad University
Publications - 4
Citations - 160
Amit Dubey is an academic researcher from Allahabad University. The author has contributed to research in topics: Drug repositioning & Docking (molecular). The author has an hindex of 3, co-authored 4 publications receiving 53 citations.
Papers
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Journal ArticleDOI
Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro.
Journal ArticleDOI
SARS-CoV-2 Mpro inhibitors: identification of anti-SARS-CoV-2 Mpro compounds from FDA approved drugs
Shiv Bharadwaj,Esam I. Azhar,Mohammad Amjad Kamal,Leena H. Bajrai,Amit Dubey,Kanupriya Jha,Umesh Yadava,Sang Gu Kang,Vivek Dhar Dwivedi +8 more
TL;DR: Comparison molecular simulation and interaction profiling of the screened drugs with SARS-CoV-2 Mpro revealed R428, Teniposide, and Setileuton with stronger stability and affinity than other drugs and N3 inhibitor; and hence, these drugs are advocated for further validation using in vitro enzyme inhibition and in vivo studies against Sars-Cov-2 infection.
Journal ArticleDOI
Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations.
TL;DR: In this paper, the authors applied computational screening and evaluation of FDA-approved drugs for highly selective modulation of Sirt2 activity via a unique inhibitory mechanism as reported earlier for SirReal2 inhibitor.
Journal ArticleDOI
Structure-Based Identification of Natural Products as SARS-CoV-2 M pro Antagonist from Echinacea angustifolia Using Computational Approaches.
Shiv Bharadwaj,Sherif A. El-Kafrawy,Thamir A. Alandijany,Leena H. Bajrai,Altaf Ahmad Shah,Amit Dubey,Amaresh Kumar Sahoo,Umesh Yadava,Mohammad Amjad Kamal,Esam I. Azhar,Sang Gu Kang,Vivek Dhar Dwivedi +11 more
TL;DR: In this article, the authors carried out a structure-based screening of natural products from Echinacea angustifolia, commonly used to prevent cold and other microbial respiratory infections, targeting SARS-CoV-2 Mpro.