Integrative machine learning-guided in silico and in vitro approach reveals selective small molecule inhibitors targeting mutant IDH1
Mayank Bajaj, Rohit Kumar, Vishal Pandey, Sahanawaz Parvez, Hemanth Kumar Tanneru, Polamarasetty Aparoy, Roy Karnati · RSC Advances · 2025
values in the micromolar range, while exhibiting no significant activity against the WT-IDH1. While the mechanism of action of these compounds as IDH inhibitors is yet to be established, our results support these compounds as potent and selective hits. They offer a promising foundation for structural optimisation and the development of next-generation therapeutics against MT-IDH1 malignancies.