Obikeze, KeneChioma O N, Oghenetega2022-03-112024-05-152024-05-152021https://hdl.handle.net/10566/15054Doctor Pharmaceuticae - DPharmThe central nervous system (CNS), consisting of the brain and the spinal cord, is responsible for integrating sensory information and influencing most bodily functions . The CNS is protected from toxic and pathogenic agents in the blood by permeability barrier mechanisms. These barrier mechanisms, specifically the blood brain barrier (BBB) presents a challenge for the discovery of CNS active drugs as it is requirement for these drugs to permeate the BBB to reach their target site in the CNS. The conventional processes of drug design and discovery from natural products are time consuming, tedious, expensive and have a high failure rate. It has been reported from various studies that the use of computational modelling and simulations in drug design and discovery is less costly and less time-consuming with a greater chance of success than the conventional processes. The process of drug discovery and design can, therefore, be easily carried out using proven computer models, software, and web-based tools . As a result of the above stated facts, this study aims to utilize in silico as well as in vitro methods in identifying and characterizing promising druglike bioactive compounds from Leonotis leonurus with Central Nervous System (CNS) activity, more specifically in treating Alzheimer’s disease (AD).enLeonotis leonurusAlzheimer’s diseaseDrug likenessADMETVitexinUniversity of the Western Cape