Binding mode of triazole derivatives as aromatase inhibitors based on docking, protein ligand interaction fingerprinting, and molecular dynamics simulation studies

Aromatase inhibitors (AIs) as effective candidates have been used in the treatment of hormone-dependent breast cancer. In this study, we have proposed 300 structures as potential AIs and filtered them by Lipinski's rule of five using DrugLito software. Subsequently, they were subjected to docki...

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Detalles Bibliográficos
Autores principales: Mojaddami, Ayyub, Sakhteman, Amirhossein, Fereidoonnezhad, Masood, Faghih, Zeinab, Najdian, Atena, Khabnadideh, Soghra, Sadeghpour, Hossein, Rezaei, Zahra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Medknow Publications & Media Pvt Ltd 2017
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5333476/
https://www.ncbi.nlm.nih.gov/pubmed/28255310
http://dx.doi.org/10.4103/1735-5362.199043

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5333476/
https://www.ncbi.nlm.nih.gov/pubmed/28255310
http://dx.doi.org/10.4103/1735-5362.199043

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