Exploration of stilbenoid trimers as potential inhibitors of sirtuin1 enzyme using a molecular docking and molecular dynamics simulation approach

A combination of molecular docking and molecular dynamics simulation (250 ns) has been carried out to study the interaction of stilbenoid trimer compounds with the SIRT1 enzyme as the target protein. SIRT1 expression regulates cellular stress responses that lead to the development of cancer. Redocki...

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Detalles Bibliográficos
Autores principales: Abdjan, Muhammad Ikhlas, Aminah, Nanik Siti, Siswanto, Imam, Kristanti, Alfinda Novi, Takaya, Yoshiaki, Choudhary, Muhammad Iqbal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9033617/
https://www.ncbi.nlm.nih.gov/pubmed/35478645
http://dx.doi.org/10.1039/d1ra02233d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9033617/
https://www.ncbi.nlm.nih.gov/pubmed/35478645
http://dx.doi.org/10.1039/d1ra02233d

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