Discovery of andrographolide hit analog as a potent cyclooxygenase-2 inhibitor through consensus MD-simulation, electrostatic potential energy simulation and ligand efficiency metrics

Cyclooxygenase-2 (COX-2) is the key enzyme responsible for the conversion of arachidonic acid to prostaglandins that display pro-inflammatory properties and thus, it is a potential target protein to develop anti-inflammatory drugs. In this study, chemical and bio-informatics approaches have been emp...

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Detalles Bibliográficos
Autores principales: Jain, Priyanka, Satija, Jitendra, Sudandiradoss, C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10199084/
https://www.ncbi.nlm.nih.gov/pubmed/37208387
http://dx.doi.org/10.1038/s41598-023-35192-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10199084/
https://www.ncbi.nlm.nih.gov/pubmed/37208387
http://dx.doi.org/10.1038/s41598-023-35192-7

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