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(s)-n-(4-carbamoylphenyl)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-5h-thiazolo[3,2-a]pyridine-3-carboxamide, a better inhibitor of sars-cov-2 spike glycoprotein than some standard drugs: a computational prediction
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نویسنده
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edache emmanuel israel ,uzairu adamu ,mamza paul andrew ,shallangwa gideon adamu
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منبع
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advanced journal of chemistry-section a - 2023 - دوره : 6 - شماره : 1 - صفحه:17 -30
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چکیده
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The appearance of severe acute respiratory syndrome coronavirus 2 (covid-19) is at its peak; with the growing number of people infected with covid-19, there is an urgent need to find effective treatments for this outbreak. the current situation appears to call for drug repurposing. in our hunt for a viable medication against this virus, we used an in-silico strategy to test four conventional medicines, including ritonavir and hydroxychloroquine, against the spike glycoprotein of covid-19. a docking simulation was performed to assess the drug's binding affinity. we discovered a single medication compound 36 against sars-coronavirus spike glycoprotein. the compound was found to have a strong binding affinity against the target protein. the chemical was discovered to have a high affinity for the target protein. furthermore, no conventional medicines efficiently bonded to the sars-coronavirus spike glycoprotein. the current investigation concluded that the compound 36 is a highly stable anti-sars-coronavirus spike glycoprotein medication. furthermore, none of the standard drugs had a high affinity for the sars-coronavirus spike glycoprotein binding site.
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کلیدواژه
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sars-cov-2 ,phylogenetic analysis ,molecular docking ,admet
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آدرس
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university of maiduguri, faculty of science, department of pure and applied chemistry, nigeria, ahmadu bello university, faculty of physical sciences, department of chemistry, nigeria, ahmadu bello university, faculty of physical sciences, department of chemistry, nigeria, ahmadu bello university, faculty of physical sciences, department of chemistry, nigeria
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پست الکترونیکی
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p16549@abu.edu.ng
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Authors
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