IRACEMA: A Database Management System for Bioactive Compounds Obtained and Characterized by Brazilian Researchers

Bioactive compounds are natural or synthetic substances with regulatory roles in metabolic processes. Brazil, known for its rich biodiversity and strong expertise in organic chemistry, holds great potential for discovering bioactive molecules. However, the vast amount of data generated in this field is often scattered and difficult to access. The IRACEMA (Innovative Research, Analysis, and Computational Exploration of Molecules Assembled in Brazil) project addresses this challenge by establishing the first comprehensive database of synthetic bioactive compounds in Brazil. This platform integrates biological activity data, manually curated from the literature, with cheminformatics-based predictions of physicochemical and ADME properties to facilitate the exploration of structure-activity relationships (SARs) by end users. The project's technical architecture employs modern web technologies for both frontend (React) and backend (NestJS/Node.js and Python/Flask microservices) development. The system delivers an interactive platform for molecular visualization and analysis, with PostgreSQL and Prisma ensuring robust data management. By democratizing access to data, IRACEMA (available at https://iracema.fcf.usp.br/) strengthens Brazil's position in bioactive compound research, bridging the gap between academic discoveries and real-world applications.