Girdhar Bhati

Integrated machine learning and structural bioinformatics guided identification of novel molecular scaffolds as renin inhibitors.

This study identified 4 promising hits - HTS00804, HTS05294, BTB13902, and RJC01726 with diverse piperazine and piperidine-substituted scaffolds for renin inhibition, and can be explored as a starting scaffold for further structural optimization through medicinal chemistry efforts to design next-generation direct renin...