Blocking key mutated hotspot residues in the RBD of the omicron variant (B.1.1.529) with medicinal compounds to disrupt the RBD-hACE2 complex using molecular screening and simulation approaches-Reference-Cited by-同舟云学术

Blocking key mutated hotspot residues in the RBD of the omicron variant (B.1.1.529) with medicinal compounds to disrupt the RBD-hACE2 complex using molecular screening and simulation approaches

Published:2022 Issue:12 Volume:12 Page:7318-7327
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Khan Abbas¹^ORCID,Randhawa AsfandYar Waheed²,Balouch Ali Raza²,Mukhtar Naila³,Sayaf Abrar Mohammad⁴,Suleman Muhammad⁵,Khan Taimoor¹,Ali Shahid⁵^ORCID,Ali Syed Shujait⁵,Wang Yanjing⁶^ORCID,Mohammad Anwar⁷,Wei Dong-Qing¹⁸⁹^ORCID

Affiliation:

1. Department of Bioinformatics and Biological Statistics, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, 200240, P.R. China

2. Central Park Medical College, Lahore, Pakistan

3. Department of Botany, University of Okara, Punjab, Pakistan

4. School of Chemical Sciences, Universiti Sains Malaysia, Pulau Pinang, 11800, Malaysia

5. Centre for Biotechnology and Microbiology, University of Swat, Kanju, Khyber Pakhtunkhwa, Pakistan

6. Engineering Research Center of Cell and Therapeutics Antibody, School of Pharmacy, Shanghai Jiao Tong University, Shanghai, 200240, P.R. China

7. Department of Biochemistry and Molecular Biology, Dasman Diabetes Institute, Dasman, Kuwait

8. State Key Laboratory of Microbial Metabolism, Shanghai-Islamabad-Belgrade Joint Innovation Center on Antibacterial Resistances, Joint Laboratory of International Laboratory of Metabolic and Developmental Sciences, Ministry of Education and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030, P.R. China

9. Peng Cheng Laboratory, Vanke Cloud City Phase I Building 8, Xili Street, Nashan District, Shenzhen, Guangdong, 518055, P.R China

Abstract

A new variant of SARS-CoV-2 known as the omicron variant (B.1.1.529) reported in South Africa with 30 mutations in the whole spike protein, among which 15 mutations are in the receptor-binding domain, is continuously spreading exponentially around the world.

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Science and Technology Commission of Shanghai Municipality

Shanghai Jiao Tong University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA00277A

Reference36 articles.