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the suggestion of a drug for covid-19 with molecular docking
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نویسنده
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sabbaghzadeh reihaneh
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منبع
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medical laboratory journal - 2023 - دوره : 17 - شماره : 2 - صفحه:39 -44
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چکیده
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Background and objectives: this study aimed to study the interaction between the severe acute respiratory syndrome coronavirus 2 (sars‑cov‑2) spike protein complex and seven drugs that inhibit the angiotensin-converting enzyme 2. methods: plots of protein-ligand interaction were obtained using the ligplot software. in addition, binding energies in kcal/mol, hydrophobic interactions, and hydrogen bonds were determined. autodock software v.1.5.6 and autodock vina were used for the analysis of molecular docking processes.results: the only structure that interacted with the sars‑cov‑2 spike protein was anakinra. conclusion: anakinra was the only drug that interacted with the sars‑cov‑2 spike protein. this could be further investigated for finding a temporary alternative medicine for the treatment of coronavirus disease 2019.
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کلیدواژه
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molecular docking simulation ,sars-cov-2 ,software
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آدرس
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hakim sabzevari university, faculty of sciences, department of biology, iran
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پست الکترونیکی
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reihanehsabb@gmail.com
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Authors
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