PHYTOCHEMICAL EVALUATION, ANTIOXIDANT AND IN SILICO STUDY OF CHRYSOPHYLLUM ALBIDUM AS A POTENTIAL ANGIOTENSIN INHIBITOR

Hypertension remains a global health burden, and the search for novel, plant-based therapeutic agents continues to gain momentum. This study explores the potential of Chrysophyllum albidum (African star apple) fruit as a source of natural angiotensin receptor inhibitors through phytochemical, antioxidant, and in silico approaches. Phytochemical screening revealed a range of bioactive constituents including phenols, tannins, saponins, steroids, terpenoids, and quinones, with quantitative analysis showing phenolic content up to 60.1% in some extracts. Antioxidant assays demonstrated significant radical scavenging activity across all three tested radicals DPPH (up to 93.81%), hydrogen peroxide (71.84%), and nitric oxide (91.61%) supporting the fruit’s redox-modulating potential. GC-MS profiling identified 59 phytochemicals from the skin, seed coat, and cotyledon extracts. These compounds were docked against the human angiotensin II type 1 receptor (PDB ID: 4ZUD), and seven exhibited high binding affinities, surpassing or equaling the reference drug olmesartan (−7.9 kcal/mol). Notably, 4-Phenyl-3,4-dihydroisoquinoline showed the strongest binding score (−8.5 kcal/mol), followed by Benzene, 1,1’-(1,3-butadiyne-1,4-diyl)bis- (−8.3 kcal/mol), and others with comparable interactions at the active site. Pharmacokinetic and toxicity evaluations via ADMETLab 3.0 and pkCSM confirmed acceptable oral bioavailability, low toxicity risks, and favourable drug-likeness for six of the seven hit compounds, all of which met Lipinski’s Rule of Five criteria. Additionally, MM-GBSA binding energy calculations indicated that the lead compounds form stable and energetically favourable complexes with the angiotensin receptor, outperforming olmesartan in thermodynamic binding efficiency. These findings underscore the therapeutic potential of Chrysophyllum albidum fruit phytochemicals as promising natural inhibitors of the angiotensin pathway, providing a foundation for further drug development studies targeting hypertension.