Project-Based Learning in Medicinal Chemistry: Virtual Screening of a Novel Microtubule-Destabilizing Agents Targeting the Colchicine Binding Site

Abstract

Project-based learning (PBL) is highly significant in modern medicinal chemistry education. This goal-directed, inquiry-based learning model emphasizes solving complex, real-world problems at the forefront of medicinal chemistry, effectively complementing student-centered training. In response to this, we developed a PBL course in medicinal chemistry focused on the virtual screening of microtubule-destabilizing agents that target colchicine binding site. This course incorporates computer-aided virtual screening techniques, including shape similarity, molecular docking, molecular interaction fingerprints, and molecular dynamics simulations to verify the stability and interaction mechanisms between promising compounds and tubulin. Through PBL, students acquired a solid understanding of the theoretical concepts of medicinal chemistry and enhanced their experimental skills and problem-solving capabilities. Additionally, the newly identified microtubule-destabilizing agents offer significant insights and guidance for subsequent drug development efforts. This work introduces an innovative approach to the teaching and scientific investigation of medicinal chemistry, providing both theoretical insights and practical applications.