Research

Computational Approaches to Drug Discovery

We use computer-aided drug discovery (CADD) approaches as the main tool in our research. We have license to Schrodinger's Drug Discovery platform, which we actively use in multiple projects to better design moelcules. We are currently expanding our scope to AI-mediated ADMET predcitions on a collaboration basis.

Medicinal Chemistry

We synthesize organic compounds and verify structures using multiple spectroscopic techniques including NMR, MS, UV, and IR. We use both knowledge/literature-based and AI-driven retrosynthetic analysis to develop efficient synthetic routes to target molecules. We design compounds based on key medicinal chemistry principles to improve potency and selectivity, while maintaining the overall balance of drug-like properties.

Idiopathic Pulmonary Fibrosis

One of our main goal is to discover drugs that can slow down the progression, or reverse the state of idiopathic pulmonary fibrosis. We aim to discover best-in-class moleulces for this current project.

image from NIH

Inflammatory Bowel Disease

Inflammatory bowel disease yet remains a field of high unmet medical needs. We are adopting polypharmacology concepts to develop small molecules that can bind to multiple disease-related targets.

image from Ultra-DD