Screening of camphene as a potential inhibitor targeting SARS-CoV-2 various structural and functional mutants: Through reverse docking approach

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چکیده

Background: SARS-CoV was first identified in 2003 but SARS-CoV-2, which gained its recognition again 2019 as COVID-19, has been a crucial threat worldwide and caused more death rates than the till now no confined treatments are available. The present study aimed to investigate efficacy of camphene against various structural functional mutants SARS-CoV-2 using reverse docking protocol. Methods: To potential antiviral drug all possible target proteins could lead new platform for discovery. Reverse pharmacology (Reverse docking) approach performed, involved 20 non-structural (NSPs) performed maestro 12.8 Schrödinger. Results: results were evaluated since minimum binding energy obtained after effective most responsible showed greater main protease (protease 9), is protein SARS-CoV-2. Hence, proves that can be good candidate different Conclusion: Protease 9, expressed best affinity with having (-5.616). it concluded contender 9 potent This major finding, related camphor, already very beneficial many respiratory problems.

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ژورنال

عنوان ژورنال: Environmental health engineering and management

سال: 2023

ISSN: ['2423-4311', '2423-3765']

DOI: https://doi.org/10.34172/ehem.2023.14