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

• Main Authors: Ayyub Mojaddami (Author), Amirhossein Sakhteman (Author), Masood Fereidoonnezhad (Author), Zeinab Faghih (Author), Atena Najdian (Author), Soghra Khabnadideh (Author), Hossein Sadeghpour (Author), Zahra Rezaei (Author)
• Format: Book
• Published: Wolters Kluwer Medknow Publications, 2017-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...