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Identification of Entry Inhibitors against Delta and Omicron Variants of SARS-CoV-2

Authors :
Richard Kuan-Lin Lee
Tian-Neng Li
Sui-Yuan Chang
Tai-Ling Chao
Chun-Hsien Kuo
Max Yu-Chen Pan
Yu-Ting Chiou
Kuan-Ju Liao
Yi Yang
Yi-Hsuan Wu
Chen-Hao Huang
Hsueh-Fen Juan
Hsing-Pang Hsieh
Lily Hui-Ching Wang
Source :
International Journal of Molecular Sciences; Volume 23; Issue 7; Pages: 4050
Publication Year :
2022
Publisher :
MDPI AG, 2022.

Abstract

Entry inhibitors against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) are urgently needed to control the outbreak of coronavirus disease 2019 (COVID-19). This study developed a robust and straightforward assay that detected the molecular interaction between the receptor-binding domain (RBD) of viral spike protein and the angiotensin-converting enzyme 2 (ACE2) receptor in just 10 min. A drug library of 1068 approved compounds was used to screen for SARS-CoV2 entry inhibition, and 9 active drugs were identified as specific pseudovirus entry inhibitors. A plaque reduction neutralization test using authentic SARS-CoV-2 virus in Vero E6 cells confirmed that 2 of these drugs (Etravirine and Dolutegravir) significantly inhibited the infection of SARS-CoV-2. With molecular docking, we showed that both Etravirine and Dolutegravir are preferentially bound to primary ACE2-interacting residues on the RBD domain, implying that these two drug blocks may prohibit the viral attachment of SARS-CoV-2. We compared the neutralizing activities of these entry inhibitors against different pseudoviruses carrying spike proteins from alpha, beta, gamma, and delta variants. Both Etravirine and Dolutegravir showed similar neutralizing activities against different variants, with EC50 values between 4.5 to 5.8 nM for Etravirine and 10.2 to 22.9 nM for Dolutegravir. These data implied that Etravirine and Dolutegravir may serve as general spike inhibitors against dominant viral variants of SARS-CoV-2.

Details

ISSN :
14220067
Volume :
23
Database :
OpenAIRE
Journal :
International Journal of Molecular Sciences
Accession number :
edsair.doi.dedup.....7860f95e83524b5b67ee87f1bbb61cbb
Full Text :
https://doi.org/10.3390/ijms23074050