The Brazilian Compound Library (BraCoLi) Database: A Brazilian Repository of Chemical and Biological Information for Drug Design
Gabriel Corrêa Veríssimo, Valtair Severino dos Santos, Ingrid Ariela do Rosário de Almeida, Marina Sant’Anna Mitraud Ruas, Lukas Galuppo Coutinho, Renata Barbosa de Oliveira, Vinícius Gonçalves Maltarollo · ChemRxiv · 2021
The Brazilian Compound Library (BraCoLi) is a novel virtual library of manually curated compounds developed by Brazilian research groups to support further computer-aided drug design works. Herein, the first version of the database is described comprising 1,176 compounds. Also, the chemical diversity and drug-like profile of BraCoLi were defined to analyze its chemical space. A significant amount of the compounds fitted Lipinski and Veber’s rules, alongside other drug-likeness properties. Principal component analysis showed that BraCoLi is similar to other databases (FDA-approved drugs and NuBBEDB) regarding structural and physicochemical patterns. Finally, a scaffold analysis showed that BraCoLi presents several privileged chemical skeletons with great diversity.