Article
T6496 targeting EGFR mediated by T790M or C797S mutant: machine learning, virtual screening and bioactivity evaluation study.
Journal of biomolecular structure & dynamics - 1 Apr 2025
Wang Linxiao, Fan Dang, Ruan Wei, Huang Xiaoling, Zhu Wufu, Tu Yuanbiao, Zheng Pengwu
Abstract excerpt
Acquired resistance to EGFR is a major impediment in lung cancer treatment, highlighting the urgent need to discover novel compounds to overcome EGFR drug resistance. In this study, we utilized in silico methods and bioactivity evaluation for drug discovery to identify novel active anticancer agents targeting EGFRT790M/L858R and EGFRT790M/C797S/L858R. Firstly, we employed ROC-guided machine learning to retrieve...
Read the complete abstract on PubMedTopics
- ErbB Receptors
- Humans
- Machine Learning
- Protein Kinase Inhibitors
- Cell Line, Tumor
- Antineoplastic Agents
