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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Detalhes bibliográficos
Publicado no:Res Pharm Sci
Main Authors: Mojaddami, Ayyub, Sakhteman, Amirhossein, Fereidoonnezhad, Masood, Faghih, Zeinab, Najdian, Atena, Khabnadideh, Soghra, Sadeghpour, Hossein, Rezaei, Zahra
Formato: Artigo
Idioma:Inglês
Publicado em: Medknow Publications & Media Pvt Ltd 2017
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Original Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5333476/
https://ncbi.nlm.nih.gov/pubmed/28255310
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.4103/1735-5362.199043
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