Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2

Combination drugs have been used for several diseases for many years since they produce better therapeutic effects. However, it is still a challenge to discover candidates to form a combination drug. This study aimed to investigate whether using a comprehensive in silico approach to identify novel c...

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Detalles Bibliográficos
Autores principales: Li, Hong, Komori, Akari, Li, Mingdi, Chen, Xiaomei, Yang, Angela Wei Hong, Sun, Xiaomin, Liu, Yanyan, Hung, Andrew, Zhao, Xiaoshan, Zhou, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Author(s). Published by Elsevier B.V. 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9854241/
https://www.ncbi.nlm.nih.gov/pubmed/36694691
http://dx.doi.org/10.1016/j.molliq.2023.121253

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9854241/
https://www.ncbi.nlm.nih.gov/pubmed/36694691
http://dx.doi.org/10.1016/j.molliq.2023.121253

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