Publications

Research

Organic synthesis, medicinal chemistry and computational chemistry

The Organic Synthesis & Molecular Design Laboratory (CLab) develops innovative synthetic strategies for the preparation of structurally diverse small molecules inspired by natural products and biologically relevant scaffolds. Our research integrates organic synthesis, medicinal chemistry, and computational chemistry to generate molecular libraries with potential applications in human health.

Graphical abstract

Organic Synthesis: We develop efficient synthetic methodologies for the construction and diversification of complex molecular architectures through function-oriented synthesis (FOS), skeletal editing, and cascade reactions. Medicinal Chemistry: We design and optimize bioactive molecules targeting diseases of high societal impact, with a particular focus on breast cancer, Alzheimer's disease, and cardiovascular disorders. Computational Chemistry: Computational studies combining molecular docking, density functional theory (DFT), and transition-state (TS) calculations are used to investigate reaction mechanisms, understand molecular recognition, and guide the rational design of new bioactive compounds. By integrating synthetic chemistry, biological evaluation, and computational approaches, CLab seeks to accelerate the discovery of innovative molecules with therapeutic potential while advancing sustainable strategies in modern organic synthesis.