Kumar’s Research Group focuses on the discovery and development of small‑molecule therapeutics targeting redox signaling and disease‑associated protein–protein interactions. Led by Dr. Nitish Kumar, PhD, our work integrates computational drug design, medicinal chemistry, and experimental validation to address unmet medical needs in cancer, neurodegeneration, and metabolic disorders.

Our current research emphasizes:

• Targeting the KEAP1–NRF2 pathway through rational design of protein–protein interaction inhibitors and allosteric modulators

• Natural product‑inspired drug discovery for redox‑regulated diseases

• AI‑ and machine‑learning‑assisted bioactivity and ADMET prediction

• Structure‑based lead optimization supported by synthesis and biological evaluation

By combining in silico modeling, chemical synthesis, and preclinical evaluation, we aim to translate bioactive scaffolds into clinically relevant therapeutic candidates.

🔬 Research Areas

• Computational Drug Design
  Molecular docking, molecular dynamics, QSAR, free‑energy calculations

• Medicinal & Synthetic Chemistry
  Small‑molecule synthesis, lead optimization, structure–activity relationships

• Natural Product & Phytochemical Research
  Isolation, characterization, and pharmacological evaluation

• Machine Learning in Drug Discovery
  Bioactivity prediction, ADMET modeling, virtual screening

• Preclinical Pharmacology
  In vitro and in vivo assessment of lead compounds

Our long‑term goal is to develop safe, mechanism‑driven therapeutics for oxidative stress‑driven diseases.