Molecular Docking Analysis of Anti‑Severe Acute Respiratory Syndrome‑Coronavirus ۲ Ligands against Spike Glycoprotein and the ۳‑Chymotrypsin‑Like Protease
سال انتشار: 1400
نوع سند: مقاله ژورنالی
زبان: انگلیسی
مشاهده: 97
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شناسه ملی سند علمی:
JR_JMSI-11-1_004
تاریخ نمایه سازی: 28 تیر 1402
چکیده مقاله:
Background: The severe acute respiratory syndrome‑like disease coronavirus disease ۲۰۱۹
(COVID‑۱۹) is a disastrous global pandemic with ۱۶,۲۸۸,۴۹۰ infected cases and ۶۴۹,۸۸۴ deaths.
Until now, no effective treatments are found. Methods: The virus uses the ۳‑chymotrypsin‑like
protease for inducing the activity of the viral polyproteins and the spike (S) glycoprotein for
human cell entry through the human angiotensin‑converting enzyme ۲ receptor. Blocking the active
binding sites of these molecules might be beneficial for decreasing the activity of the virus and
suppressing the viral entry to the human cells. Here, docking methods were used to identify a group
of ligands may perform the blocking operations. Results: The results revealed the strongest binding
affinities, sorted high to low, for tadalafil (Cialis) (phosphodiesterase type ۵ inhibitor, tirofiban
(antiplatelet), paraxanthine (central nervous system stimulant), dexamethasone, gentian violet cation
(triphenylmethane), salbutamol, and amlodipine (calcium channel blocker). Conclusion: These
substances may provide vital help for further clinical investigation in fighting against the current
global pandemic of the COVID‑۱۹.
کلیدواژه ها:
Cialis ، coronavirus disease ۲۰۱۹ ، dexamethasone ، ligands ، salbutamol ، severe acute respiratory syndrome‑coronavirus ۲
نویسندگان
Ali Hassan Daghir Janabi
Department of Veterinary Microbiology, College of Veterinary Medicine, University of Al‑Qadisiyah, Diwaniyah City, Iraq