ß-Blockers bearing hydroxyethylamine and hydroxyethylene as potential SARS-CoV-2 Mpro inhibitors: rational based design, <i>in silico</i>, <i>in vitro</i>, and SAR studies for lead optimization.

Hamed, Mohammed I A; Darwish, Khaled M; Soltane, Raya; Chrouda, Amani; Mostafa, Ahmed; Abo Shama, Noura M; Elhady, Sameh S; Abulkhair, Hamada S; Khodir, Ahmed E; Elmaaty, Ayman Abo; Al-Karmalawy, Ahmed A

ß-Blockers bearing hydroxyethylamine and hydroxyethylene as potential SARS-CoV-2 Mpro inhibitors: rational based design, in silico, in vitro, and SAR studies for lead optimization.

Hamed, Mohammed I A; Darwish, Khaled M; Soltane, Raya; Chrouda, Amani; Mostafa, Ahmed; Abo Shama, Noura M; Elhady, Sameh S; Abulkhair, Hamada S; Khodir, Ahmed E; Elmaaty, Ayman Abo; Al-Karmalawy, Ahmed A.

Afiliação

Hamed MIA; Department of Organic and Medicinal Chemistry, Faculty of Pharmacy, Fayoum University Fayoum 63514 Egypt mia06@fayoum.edu.eg.
Darwish KM; Department of Medicinal Chemistry, Faculty of Pharmacy, Suez Canal University Ismailia 41522 Egypt khaled_darwish@pharm.suez.edu.eg.
Soltane R; Department of Basic Sciences, Adham University College, Umm Al-Qura University Saudi Arabia rasoltan@uqu.edu.sa.
Chrouda A; Faculty of Sciences, Tunis El Manar University Tunisia.
Mostafa A; Department of Chemistry, College of Science Al-Zulfi, Majmaah University Al-Majmaah 11952 Saudi Arabia amain.c@mu.edu.sa.
Abo Shama NM; Laboratory of Interfaces and Advanced Materials, Faculty of Sciences, Monastir University Monastir 5000 Tunisia.
Elhady SS; Institute of Analytical Sciences, UMR CNRS-UCBL-ENS 5280 5 Rue la Doua 69100 Villeurbanne CEDEX France.
Abulkhair HS; Center of Scientific Excellence for Influenza Viruses, National Research Centre Dokki Cairo 12622 Egypt ahmed_elsayed@daad-alumni.de noura.mahrous1995@gmail.com.
Khodir AE; Center of Scientific Excellence for Influenza Viruses, National Research Centre Dokki Cairo 12622 Egypt ahmed_elsayed@daad-alumni.de noura.mahrous1995@gmail.com.
Elmaaty AA; Department of Natural Products, Faculty of Pharmacy, King Abdulaziz University Jeddah 21589 Saudi Arabia ssahmed@kau.edu.sa.
Al-Karmalawy AA; Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy (Boys), Al-Azhar University Nasr City 11884 Cairo Egypt hamadaorganic@azhar.edu.eg.

RSC Adv ; 11(56): 35536-35558, 2021 Oct 28.

Article em En | MEDLINE | ID: mdl-35493159

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article