Pharmacophore-based virtual screening, molecular docking, and molecular dynamics investigation for the identification of novel, marine aromatase inhibitors

Abstract Breast cancer remains a leading cause of mortality among women worldwide. Our current research focuses on identifying effective therapeutic agents by targeting the human aromatase enzyme. Aromatase inhibitors (AIs) have been effective in treating postmenopausal breast cancer but face challe...

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Bibliographic Details

Published in:	BMC Chemistry
Main Authors:	Mohamed A. Kotb, Islam Ahmed Abdelmawgood, Ibrahim M. Ibrahim
Format:	Article
Language:	English
Published:	BMC 2024-11-01
Subjects:	Molecular docking Pharmacophore Virtual screening Molecular dynamics Aromatase Aromatase inhibitors
Online Access:	https://doi.org/10.1186/s13065-024-01350-9