作者
Mohammed IA Hamed, Khaled M Darwish, Raya Soltane, Amani Chrouda, Ahmed Mostafa, Noura M Abo Shama, Sameh S Elhady, Hamada S Abulkhair, Ahmed E Khodir, Ayman Abo Elmaaty, Ahmed A Al-Karmalawy
发表日期
2021
期刊
RSC advances
卷号
11
期号
56
页码范围
35536-35558
出版商
Royal Society of Chemistry
简介
The global COVID-19 pandemic became more threatening especially after the introduction of the second and third waves with the current large expectations for a fourth one as well. This urged scientists to rapidly develop a new effective therapy to combat SARS-CoV-2. Based on the structures of β-adrenergic blockers having the same hydroxyethylamine and hydroxyethylene moieties present in the HIV-1 protease inhibitors which were found previously to inhibit the replication of SARS-CoV, we suggested that they may decrease the SARS-CoV-2 entry into the host cell through their ability to decrease the activity of RAAS and ACE2 as well. Herein, molecular docking of twenty FDA-approved β-blockers was performed targeting SARS-CoV-2 Mpro. Results showed promising inhibitory activities especially for Carvedilol (CAR) and Nebivolol (NEB) members. Moreover, these two drugs together with Bisoprolol (BIS) as …
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