2024
DOI: 10.1002/cbdv.202402052
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Comprehensive Computational Screening and Analysis of Natural Compounds Reveals Promising Estrogen Receptor Alpha Inhibitors for Breast Cancer Therapy

Perwez Alam,
Pradeep Sharma,
Mohammed Faiz Arshad

Abstract: Breast cancer remains a leading cause of death among women, with estrogen receptor alpha (ERα) overexpression playing a pivotal role in tumor growth and progression. This study aimed to identify novel ERα inhibitors from a library of 561 natural compounds using computational techniques, including virtual screening, molecular docking, and molecular dynamics simulations. Four promising candidates—Protopine, Sanguinarine, Pseudocoptisine, and Stylopine—were selected based on their high binding affinities and inte… Show more

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