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

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 domai...

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Autores principales: Lee, Richard Kuan-Lin, Li, Tian-Neng, Chang, Sui-Yuan, Chao, Tai-Ling, Kuo, Chun-Hsien, Pan, Max Yu-Chen, Chiou, Yu-Ting, Liao, Kuan-Ju, Yang, Yi, Wu, Yi-Hsuan, Huang, Chen-Hao, Juan, Hsueh-Fen, Hsieh, Hsing-Pang, Wang, Lily Hui-Ching
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8999638/
https://www.ncbi.nlm.nih.gov/pubmed/35409412
http://dx.doi.org/10.3390/ijms23074050
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author Lee, Richard Kuan-Lin
Li, Tian-Neng
Chang, Sui-Yuan
Chao, Tai-Ling
Kuo, Chun-Hsien
Pan, Max Yu-Chen
Chiou, Yu-Ting
Liao, Kuan-Ju
Yang, Yi
Wu, Yi-Hsuan
Huang, Chen-Hao
Juan, Hsueh-Fen
Hsieh, Hsing-Pang
Wang, Lily Hui-Ching
author_facet Lee, Richard Kuan-Lin
Li, Tian-Neng
Chang, Sui-Yuan
Chao, Tai-Ling
Kuo, Chun-Hsien
Pan, Max Yu-Chen
Chiou, Yu-Ting
Liao, Kuan-Ju
Yang, Yi
Wu, Yi-Hsuan
Huang, Chen-Hao
Juan, Hsueh-Fen
Hsieh, Hsing-Pang
Wang, Lily Hui-Ching
author_sort Lee, Richard Kuan-Lin
collection PubMed
description 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.
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spelling pubmed-89996382022-04-12 Identification of Entry Inhibitors against Delta and Omicron Variants of SARS-CoV-2 Lee, Richard Kuan-Lin Li, Tian-Neng Chang, Sui-Yuan Chao, Tai-Ling Kuo, Chun-Hsien Pan, Max Yu-Chen Chiou, Yu-Ting Liao, Kuan-Ju Yang, Yi Wu, Yi-Hsuan Huang, Chen-Hao Juan, Hsueh-Fen Hsieh, Hsing-Pang Wang, Lily Hui-Ching Int J Mol Sci Article 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. MDPI 2022-04-06 /pmc/articles/PMC8999638/ /pubmed/35409412 http://dx.doi.org/10.3390/ijms23074050 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Lee, Richard Kuan-Lin
Li, Tian-Neng
Chang, Sui-Yuan
Chao, Tai-Ling
Kuo, Chun-Hsien
Pan, Max Yu-Chen
Chiou, Yu-Ting
Liao, Kuan-Ju
Yang, Yi
Wu, Yi-Hsuan
Huang, Chen-Hao
Juan, Hsueh-Fen
Hsieh, Hsing-Pang
Wang, Lily Hui-Ching
Identification of Entry Inhibitors against Delta and Omicron Variants of SARS-CoV-2
title Identification of Entry Inhibitors against Delta and Omicron Variants of SARS-CoV-2
title_full Identification of Entry Inhibitors against Delta and Omicron Variants of SARS-CoV-2
title_fullStr Identification of Entry Inhibitors against Delta and Omicron Variants of SARS-CoV-2
title_full_unstemmed Identification of Entry Inhibitors against Delta and Omicron Variants of SARS-CoV-2
title_short Identification of Entry Inhibitors against Delta and Omicron Variants of SARS-CoV-2
title_sort identification of entry inhibitors against delta and omicron variants of sars-cov-2
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8999638/
https://www.ncbi.nlm.nih.gov/pubmed/35409412
http://dx.doi.org/10.3390/ijms23074050
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