Sep 2026
Computer-aided drug design of quinoxaline based selective oestrogen receptor α modulators for breast cancer therapy: molecular docking, MD simulation, MM-PBSA and ADME/T analysis.
Oestrogen receptor alpha (ERα) is a driver of hormone-dependent breast cancer, yet current therapies are often hindered by drug resistance and adverse effects. In this study, we developed a structure-based virtual screening workflow to identify novel quinoxaline derivatives as computationally prioritized potential ERα...
A. Sharma, D. Kumar, B. Narasimhan et al.
· SAR and QSAR in environmenta... · 0 citations