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Molecular Docking Study for Covid-19 of Curcumin and Tetrahydrocurcumin Analog
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| Author:
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RITMALENI , HARI PURNOMO, RAIHAN AJI PANGESTU, MAYWAN HARIONO
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| Abstract:
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Analogs of curcumin and tetrahydrocurcumin are compounds that have been studied for a long time for their biological activities such as anticancer, antibacterial, antioxidant, antidiabetes and antiviral. This research is aimed to study the potency of curucmin and tetrahydrocurcumin analogs as antiviral agent against papain-like protease/deubiquitinase protein in Covid-19 drug virtually by using molecular docking of the analogs against 3E9S protein with PLANTS and MOE used as the docking programs. The results show that THHGV-6 is the most promising compound by using MOE method while THA-104 is the most potent one by using plants method. THA-102 is the most potent compound among all the tested ligands by using both MOE and PLANTS method. None of curcumin analogs show antiviral potency but many analogs of tetrahydrocurcumin show antiviral potency against 3E9S. This is in which may be developed further as antiSARS-Covid.
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| Keyword:
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curcumin analog, Covid-19, molecular docking, tetrahydrocurcumin
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| EOI:
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-
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| DOI:
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https://doi.org/10.31838/ijpr/2021.13.02.056
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| Download:
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