ISSN : 2663-2187

Molecular docking-based in silico evaluation of punicic acid as a potential inhibitor of respiratory influenza viruses, including SARS-CoV-1 and SARS-CoV-2

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Aarati RSupekar,Dr. SantoshSBhujbal,RashmiCYadav
ยป doi: 10.33472/AFJBS.6.5.2024. 2159-2174

Abstract

Emerging trends in migration, urbanisation, and worldwide travel have rendered viral epidemics a serious hazard to human health. Viral infections are a major issue due to their intricate nature, diversity, and the scarcity of vaccinations and antiviral medicines. This often leads to epidemics and pandemics. By using a computational method, this work aims to aid in the creation of efficient treatment plans by examining the mechanisms pertaining to the binding and subsequent inhibition of different respiratory influenza viruses, including SARS-CoV-2 and SARS-CoV-1 targets.Different computer screening techniques, such as the docking process, ligand-based similarity searches, or pharmacophore-based screening, are used to filter large virtual compound libraries, lowering the number of candidate compounds to a more manageable number that is subsequently physiologically verified. The drug discovery process becomes more goal-oriented thanks to this rational method, which also conserves time and money.

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