ComputationalMedicinal ChemistryIn Vitro
Profluoracil
DHFR Inhibitor for Psoriasis Treatment
Structure-based design, synthesis, and biochemical evaluation of a novel DHFR inhibitor with improved therapeutic index over methotrexate.
Overview
Combined molecular docking in Schrödinger Maestro with multi-step organic synthesis and in vitro enzymatic and cytotoxicity assays. Achieved low-nanomolar IC₅₀ values against DHFR with a markedly reduced toxicity profile relative to methotrexate, supporting translational potential for chronic psoriasis therapy.