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...

Descripción completa

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
Descripción
Sumario: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).

Ejemplares similares