IN SILICO SCREENING OF EFAVIRENZ AND EFAVIRENZ NICOTINAMIDE COCRYSTAL FOR ITS ACTIVITY AGAINST HIV AND SARS COV-2

Authors

  • Shubhangi Kagade
  • Dattatraya Yadav
  • Sumit Joshi
  • Sachin Jadhav
  • Amol Koli

DOI:

https://doi.org/10.5281/

Keywords:

Efavirenz, Nicotinamide, Cocrystal, Co-formers, in silico screening, SARS CoV-2, acting antiviral agent

Abstract

Recently many antiviral agents are under screening for the management of COVID-19 caused by SARS CoV-2. The in silico screening provides the insights of drug – receptor binding and efficacy of molecule to treat the diseases. In this work, the efficacy of an antiviral agent efavirenz and efavirenz nicotinamide cocrystal (ENCOC) against the SARS CoV-2 was determined using in silico techniques using AutoDock PyRx. Interestingly EFV shows the binding affinity with both HIV and SARS CoV-2 whereas newly synthesized ENCOC have prominent binding affinity with HIV and leading protease inhibitor of SARS CoV-2. The screening results confirms the activity of EFV and ENCOC against HIV-1 and SARS CoV-2 and warrants in vivo study for estimation of activity against SARS CoV-2

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Published

21-08-2024

Issue

Section

Research Articles

How to Cite

IN SILICO SCREENING OF EFAVIRENZ AND EFAVIRENZ NICOTINAMIDE COCRYSTAL FOR ITS ACTIVITY AGAINST HIV AND SARS COV-2. (2024). Nirma University Journal of Pharmaceutical Sciences, 10(1), 71-86. https://doi.org/10.5281/