Protocol for high-throughput screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications

Drug repositioning represents a cost- and time-efficient strategy for drug development. Here, we present a workflow of in silico screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications. By using structure-based virtual screening and signature-based off-target effect...

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Detalles Bibliográficos
Autores principales: Chen, Pin, Liu, Chenshu, Zhang, Zhongyu, Li, Zilun, Chen, Sifan, Lu, Yutong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Protocol
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9350712/
https://www.ncbi.nlm.nih.gov/pubmed/36035796
http://dx.doi.org/10.1016/j.xpro.2022.101641
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author Chen, Pin
Liu, Chenshu
Zhang, Zhongyu
Li, Zilun
Chen, Sifan
Lu, Yutong
author_facet Chen, Pin
Liu, Chenshu
Zhang, Zhongyu
Li, Zilun
Chen, Sifan
Lu, Yutong
author_sort Chen, Pin
collection PubMed
description Drug repositioning represents a cost- and time-efficient strategy for drug development. Here, we present a workflow of in silico screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications. By using structure-based virtual screening and signature-based off-target effect identification via the Connectivity Map database, we provide a ranked list of the repositioning candidates as potential ACE2 enzymatic activators to ameliorate COVID-19-induced metabolic complications. The workflow can also be applied to other diseases with ACE2 as a potential target. For complete details on the use and execution of this protocol, please refer to Li et al. (2022).
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spelling pubmed-93507122022-08-04 Protocol for high-throughput screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications Chen, Pin Liu, Chenshu Zhang, Zhongyu Li, Zilun Chen, Sifan Lu, Yutong STAR Protoc Protocol Drug repositioning represents a cost- and time-efficient strategy for drug development. Here, we present a workflow of in silico screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications. By using structure-based virtual screening and signature-based off-target effect identification via the Connectivity Map database, we provide a ranked list of the repositioning candidates as potential ACE2 enzymatic activators to ameliorate COVID-19-induced metabolic complications. The workflow can also be applied to other diseases with ACE2 as a potential target. For complete details on the use and execution of this protocol, please refer to Li et al. (2022). Elsevier 2022-08-04 /pmc/articles/PMC9350712/ /pubmed/36035796 http://dx.doi.org/10.1016/j.xpro.2022.101641 Text en © 2022 The Author(s) https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Protocol
Chen, Pin
Liu, Chenshu
Zhang, Zhongyu
Li, Zilun
Chen, Sifan
Lu, Yutong
Protocol for high-throughput screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications
title Protocol for high-throughput screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications
title_full Protocol for high-throughput screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications
title_fullStr Protocol for high-throughput screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications
title_full_unstemmed Protocol for high-throughput screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications
title_short Protocol for high-throughput screening of ACE2 enzymatic activators to treat COVID-19-induced metabolic complications
title_sort protocol for high-throughput screening of ace2 enzymatic activators to treat covid-19-induced metabolic complications
topic Protocol
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9350712/
https://www.ncbi.nlm.nih.gov/pubmed/36035796
http://dx.doi.org/10.1016/j.xpro.2022.101641
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