Represents the largest “drug-like” and diverse collection of 3D structures of natural products (NPs) covering the geographical region of the entire African continent, which is readily available for download and use in virtual screening campaigns. Virtual screening workflows usually involve docking a compound library into the binding site of a target receptor and using scoring functions and binding free energy calculations to identify putative binders. The availability of 3D structures of the compounds to be used for docking is of utmost importance. Therefore the availability of such structures within AfroDb, as well as their calculated physico-chemical properties and indicators of “drug-likeness” within this developed database will facilitate the drug discovery process from leads that have been identified from African medicinal plants.
Chemical and Bioactivity Information Centre, Department of Chemistry, Faculty of Science, University of Buea, Buea, Cameroon; Center Atomic Molecular Physics, Optics and Quantum, Faculty of Science, University of Douala, Douala, Cameroon; Department of Pharmaceutical Sciences, Martin-Luther University of Halle-Wittenberg, Halle (Saale), Germany; Biotechnology Unit, Department of Biochemistry and Molecular Biology, Faculty of Science, University of Buea, Buea, Cameroon; Department of Chemistry, Faculty of Science, University of Buea, Buea, Cameroon; Department of Chemistry, Faculty of Science, University of Douala, Douala, Cameroon