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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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Bibliografiska uppgifter
I publikationen:Res Pharm Sci
Huvudupphovsmän: Mojaddami, Ayyub, Sakhteman, Amirhossein, Fereidoonnezhad, Masood, Faghih, Zeinab, Najdian, Atena, Khabnadideh, Soghra, Sadeghpour, Hossein, Rezaei, Zahra
Materialtyp: Artigo
Språk:Inglês
Publicerad: Medknow Publications & Media Pvt Ltd 2017
Ämnen:
Länkar: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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