Comprehensive exploration of JQ1 and GSK2801 targets in breast cancer using network pharmacology and molecular modeling approaches
Nanda Kumar Yellapu, Dong Pei, Emily Nissen, Jeffrey A. Thompson, Devin C. Koestler · Computational and Structural Biotechnology Journal · 2023
< 0.05). Molecular modeling studies showed stable binding of JQ1 and GSK2801 against their targets. In conclusion, this study explored and illuminated the possible molecular mechanisms behind the enhanced activity of JQ1 and GSK2801 against BC and suggests synergistic action through their similar BC-targets and gene-ontologies.