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pahlavan yali, zahra, Fatemi, Mohammad Hossein. (1402). Inhibitory activity analysis of anti-HCV coumarins against main protease of SARS-COV2 via molecular docking. سامانه مدیریت نشریات علمی, 2(1), 54-59. doi: 10.22092/jncc.2023.129600
zahra pahlavan yali; Mohammad Hossein Fatemi. "Inhibitory activity analysis of anti-HCV coumarins against main protease of SARS-COV2 via molecular docking". سامانه مدیریت نشریات علمی, 2, 1, 1402, 54-59. doi: 10.22092/jncc.2023.129600
pahlavan yali, zahra, Fatemi, Mohammad Hossein. (1402). 'Inhibitory activity analysis of anti-HCV coumarins against main protease of SARS-COV2 via molecular docking', سامانه مدیریت نشریات علمی, 2(1), pp. 54-59. doi: 10.22092/jncc.2023.129600
pahlavan yali, zahra, Fatemi, Mohammad Hossein. Inhibitory activity analysis of anti-HCV coumarins against main protease of SARS-COV2 via molecular docking. سامانه مدیریت نشریات علمی, 1402; 2(1): 54-59. doi: 10.22092/jncc.2023.129600

Inhibitory activity analysis of anti-HCV coumarins against main protease of SARS-COV2 via molecular docking

Natural Compounds Chemistry
دوره 2، شماره 1، دی 2023، صفحه 54-59    اصل مقاله (706.44 K)
نوع مقاله: Original Article
شناسه دیجیتال (DOI): 10.22092/jncc.2023.129600
نویسندگان
zahra pahlavan yali* 1؛ Mohammad Hossein Fatemi2
1Department of analytical chemistry, Faculty of chemistry, University of Mazandaran, Babolsar, Iran
2Department of analytical chemistry, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran
چکیده
The inhibition effect of two dimeric coumarins was validated against main protease of severe acute respiratory syndrome -coronavirus 2 (SARS-COV2) via Molecular docking approach. The phytochemicals 5, 5′-bi (6, 7- dihydroxycoumarin) and 6,6′,7,7′- tetrahydroxy-5,8′- bicoumarin from Viola philippica are inhibitor activity of NS3/4A protease of hepatitis C virus (HCV). The inhibitory for SARS-COV2 main protease estimated by evaluation of binding energy and conformation. The value of predicted binding energy equal -8.07 for 5, 5′-bi (6, 7- dihydroxycoumarin) conform its ability for SARS-COV2 main protease inhibition. This invitro analysis identified the activity of anti-HCV natural inhibitor for SARS-COV2 therapy.
کلیدواژه‌ها
SARS-COV2؛ Molecular docking؛ Protease inhibitor؛ Coumarin؛ Viola philippica
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تعداد مشاهده مقاله: 42
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