Small Molecule Drug Discovery

Small Molecules.
Large Impact.

Biovaya applies structure-based design and AI-driven target identification to discover transformative small molecule therapeutics for unmet medical needs.

N F CH₃ O H O N H₂ CF₃ N CH₃ BVY-101 · Lead Scaffold · MW 412.4

Drug Discovery Engine

An integrated, iterative pipeline from validated biology to development-ready candidates.

01

Target Identification

Multi-omics integration and human genetics to identify high-confidence, genetically-validated targets with clear disease linkage.

02

Lead Discovery & Optimization

Fragment-based screening, virtual docking, and AI-guided medicinal chemistry optimization across the hit-to-lead cascade.

03

Candidate Selection

In vitro and in vivo ADMET profiling, selectivity panels, and IND-enabling toxicology studies to nominate development candidates.

Pipeline

Three programs advancing across autoimmune, oncology, and inflammatory disease indications.

Program Target Indication Stage
BVY-101 DHODH Autoimmune Disease IND-Enabling
BVY-202 BRD4 (Degrader) Oncology Lead Optimization
BVY-303 NLRP3 Inflammatory Disease Hit Identification

Scientific Capabilities

Deep expertise across structural biology, computation, and translational pharmacology.

Structural Biology

Cryo-EM structure determination and X-ray crystallography for structure-based drug design at atomic resolution.

Computational Chemistry

FEP+, AIMD, and ML-guided design for rapid lead optimization cycles with predictive accuracy at scale.

ADMET Modeling

In silico and in vitro ADMET prediction integrated into design workflows from day one to reduce attrition.

Selected Publications

Peer-reviewed research underpinning our discovery programs.

J Med Chem. 2024

Structure-based discovery of potent DHODH inhibitors for autoimmune disease.

Morgan R, Torres A, Chen WL, Patel S, et al.

Abstract →

Nat Chem Biol. 2023

NLRP3 inflammasome activation: small molecule approaches to therapeutic modulation.

Torres A, Morgan R, Huang Y, Kim J, et al.

Abstract →

Cell Chem Biol. 2023

BRD4-targeted protein degradation in hematologic malignancies.

Morgan R, Reyes M, Park JW, Okafor N, et al.

Abstract →

Our Team

Rooted in deep science and translational pharmaceutical experience.

RM

Founder & Chief Scientific Officer

Our founder holds a PhD in Medicinal Chemistry from UCSF and completed postdoctoral research at the Broad Institute of MIT and Harvard. She has 12 years of pharmaceutical R&D experience and is an inventor on 8 issued patents in kinase biology and targeted protein degradation.

Contact Biovaya

We welcome inquiries from potential partners, investors, and collaborators advancing small molecule therapeutics.

Get in touch

Location

Cambridge, MA 02139

Facility

Kendall Square Innovation Lab