At SB&BCS, we are dedicated to finding different strategies for the design of new compounds with high biological activity or functional materials. Our research specializes in organic synthesis and computacional chemistry to provide precise and innovative solutions for the construction of complex molecules.
Our group is dedicated to the design and synthesis of innovative bioactive molecules, employing multicomponent reactions and structural bioinformatics tools. We seek to thoroughly understand ligand-receptor interactions to develop new targeted therapies.
We aspire to be a leader in the field of Medicinal Organic Chemistry, significantly contributing to the advancement of science and health through the discovery of compounds with therapeutic potential.
Our primary focus lies in the rational design of bioactive molecules. We combine organic synthesis using multicomponent reactions (Ugi, Passerini, Biginelli, among others) with structural bioinformatics, enabling us to:
Gain in-depth knowledge of the behavior of therapeutic targets against our ligands.
Elucidate the mechanisms of action of the synthesized compounds.
Generate optimized new chemical structures through in silico studies of ligand-receptor complexes.
Design of bioactive compounds on GTPase and kinases expressed in cancer cells.
Analysis of affinity energies of ligand-protein systems.
Conformational analysis of ligand and protein systems.
Study of organic synthesis reaction mechanism.
Our strategy is based on an iterative cycle of design, synthesis, and evaluation. Initially, we use bioinformatics tools to identify and characterize relevant therapeutic targets. Subsequently, we design potential ligands and synthesize them using multicomponent reactions, which allows us to generate molecular diversity efficiently. We then evaluate the biological activity of the synthesized compounds and use the results to refine our in silico models and design new generations of ligands.
Research is a systematic and rigorous process of inquiry and discovery. Within the context of our Medicinal Organic Chemistry research group, research encompasses:
Exploration: Seeking novel molecules and reactions with potential therapeutic applications.
Analysis: Utilizing bioinformatics and molecular modeling tools to understand how molecules interact with biological targets.
Experimentation: Synthesizing and testing compounds in the laboratory to evaluate their biological activity.
Innovation: Developing new strategies and methodologies for drug design and synthesis.
Application: Translating findings from basic research into clinical applications that improve human health.
Research assistant
PhD Student in Universidad de Concepción
PhD Student in Universidad de La Frontera
PhD Student in Universidad de La Frontera
Research assistant
Pharmacy students, Universidad de La Frontera
Pharmacy students, Universidad de La Frontera
Applied Artificial Intelligence in Materials Science and Material Design, Adv. Intell. Syst, 2025, DOI: 10.1002/aisy.202400986.
Innovative Multicomponent Reactions: We explore and develop new variants of multicomponent reactions, expanding the repertoire of tools for the synthesis of complex bioactive molecules.
Advanced Structural Bioinformatics: We apply molecular modeling and simulation techniques to understand ligand-receptor interactions at the atomic level, enabling us to optimize the design of our compounds.
Development of Targeted Therapies: We focus on the design of molecules with selective activity against specific therapeutic targets, with the aim of developing more effective treatments with fewer side effects.