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virtual screening and molecular docking of fda approved antiviral drugs for the identification of potential inhibitors of sars-cov-2 rna-mtase protein
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نویسنده
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jaan samavia ,waheed sara ,bashir sidra ,javed muhammad sameem ,amjad adnan ,nishan umar ,nawaz haq ,shah mohibullah
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منبع
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international journal of advanced biological and biomedical research - 2021 - دوره : 9 - شماره : 1 - صفحه:105 -118
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چکیده
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Background: sars-cov-2 is a novel coronavirus discovered in december 2019 and is responsible for pandemic disease covid-19. in the absence of any available vaccines or drugs to combat the virus, it has caused enormous damage. methods: an insilico docking approach was applied to determine potential inhibitors of sars-cov-2 rnamtase by screening against a ligand library of fda approved antiviral compounds. results: ten compounds including daclatasvir, pibrentasvir, tenofovir, velpatasvir, grazoprevir, ledipasvir, elbasvir, delavirdine, nilutamide, and ribavirin triphosphate showed a strong binding affinity with rnamtase of which daclatasvir and pibrentasvir exhibited the highest affinity. moreover, daclatasvir, grazoprevir, and tenofovir, which have recently been reported to have a binding affinity with other sars-cov-2 proteins, showed good binding interactions with rnamtase, suggesting a role to act as dual inhibitors. conclusion: the suggested antiviral compounds can tightly bind to rnamtase of sars-cov-2 and thus have the potential to be used against this deadly virus. importantly, as fda already approved, these drugs do not need to undergo toxicity evaluation.
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کلیدواژه
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antiviral drug ,covid-19 ,sars-cov-2 ,novel coronavirus ,nsp10-nsp16
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آدرس
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bahauddin zakariya university, department of biochemistry, pakistan, bahauddin zakariya university, department of biochemistry, pakistan, bahauddin zakariya university, department of biochemistry, pakistan, bahauddin zakariya university, institute of food science and nutrition, pakistan, bahauddin zakariya university, institute of food science and nutrition, pakistan, kohat university of science and technology, department of chemistry, pakistan, bahauddin zakariya university, department of biochemistry, pakistan, bahauddin zakariya university, department of biochemistry, pakistan
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پست الکترونیکی
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mohib@bzu.edu.pk
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Authors
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