Insights from the molecular docking and simulation analysis of P38 MAPK phytochemical inhibitor complexes

It is of interest to develop p38α MAPK inhibitors. Docking, ADMET properties calculation, molecular dynamics, and MM-PBSA approaches were used to investigate the therapeutic potentials of p38α MAPK in complex with SB203580 (1A9U). The photo-molecules metergoline, withaphysacarpin, philadelphicalacto...

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Detalles Bibliográficos
Autores principales: Prasada Rao, Chennu MM, Silakabattini, Kotaiah, Narapusetty, Naidu, Marabathuni, V. Jhansi Priya, Thejomoorthy, Karavadi, Rajeswari, Tanniru, Y, Sabitha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10557437/
https://www.ncbi.nlm.nih.gov/pubmed/37808383
http://dx.doi.org/10.6026/97320630019323

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10557437/
https://www.ncbi.nlm.nih.gov/pubmed/37808383
http://dx.doi.org/10.6026/97320630019323

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