Chemical Diversity and Biological Activity of African Propolis.

Natural remedies have for centuries played a significant role in traditional medicine and continue to be a unique reservoir of new chemical entities in drug discovery and development research. Propolis is a natural substance, collected by bees mainly from plant resins, which has a long history of use as a folk remedy to treat a variety of ailments. The highly variable phytochemical composition of propolis is attributed to differences in plant diversity within the geographic regions from which it is collected. Despite the fact that the last five decades has seen significant advancements in the understanding of the chemistry and biological activity of propolis, a search of the literature has revealed that studies on African propolis to date are rather limited. The aim of this contribution is to report on the current body of knowledge of African propolis, with a particular emphasis on its chemistry and biological activity. As Africa is a continent with a rich flora and a vast diversity of ecosystems, there is a wide range of propolis phytochemicals that may be exploited in the development of new drug scaffolds.

Investigation of the anti-TB potential of selected propolis constituents using a molecular docking approach.

Human tuberculosis (TB), caused by Mycobacterium tuberculosis, is the leading bacterial killer disease worldwide and new anti-TB drugs are urgently needed. Natural remedies have long played an important role in medicine and continue to provide some inspiring templates for drug design. Propolis, a substance naturally-produced by bees upon collection of plant resins, is used in folk medicine for its beneficial anti-TB activity. In this study, we used a molecular docking approach to investigate the interactions between selected propolis constituents and four 'druggable' proteins involved in vital physiological functions in M. tuberculosis, namely MtPanK, MtDprE1, MtPknB and MtKasA. The docking score for ligands towards each protein was calculated to estimate the binding free energy, with the best docking score (lowest energy value) indicating the highest predicted ligand/protein affinity. Specific interactions were also explored to understand the nature of intermolecular bonds between the most active ligands and the protein binding site residues. The lignan (+)-sesamin displayed the best docking score towards MtDprE1 (-10.7 kcal/mol) while the prenylated flavonoid isonymphaeol D docked strongly with MtKasA (-9.7 kcal/mol). Both compounds showed docking scores superior to the control inhibitors and represent potentially interesting scaffolds for further in vitro biological evaluation and anti-TB drug design.