The Journal of Phytopharmacology 2023; 12(6):411-420 ; DOI:10.31254/phyto.2023.12607
Exploration of Secondary Metabolites in Flower-Petal Annona muricata as Agonists for Peroxisome Proliferator-Activated Receptor-Alpha (PPAR?) for Liver Function
Ololade Zacchaeus S1 , Lajide Labunmi1 , Onifade Olayinka F2 , Eze John C1 , Tommy Bessie E1 , Orodepo Gabriel O1 , Idowu Olaniyi O1 , Oyebanji Olawumi T1 , Olaniran Anikeola C1
1. Department of Chemistry, Medicinal and Organic Chemistry Unit, University of Medical Sciences, Ondo, Nigeria
2. Department of Chemical Sciences, Biochemistry Unit, Bells University of Technology, Ota, Nigeria
*Author to whom correspondence should be addressed.
Received: 2nd October, 2023 / Accepted: 24th December, 2023 / Published : 30th December, 2023
The expression of PPAR? in the liver is significantly increased in both non-alcoholic fatty liver disease (NAFLD) patients and experimental models. Animal studies have shown promising outcomes in improving histological conditions, such as fibrosis, through the use of PPAR? agonists. This particular petal to act as agonists for PPAR?. Molecular docking and Prime MM-GBSA (Molecular Mechanics-Generalized Born Surface Area) were employed to analyze the ligand binding affinity, atomistic interactions, and protein stability. Additionally, we conducted evaluations of the identified PPAR? agonist candidates to assess their toxicity and pharmacological profiles were conducted. The hit compounds exhibit favourable binding affinity and thermodynamics stability, and interact effectively with key residues in the binding site. Furthermore, the safety assessment indicates minimal to non-acute toxicity and favourable drug-like properties for these compounds. Secondary metabolites in the extract are potential drug candidate. They demonstrate drug-like properties as they adhere to the Lipinski rule.
Annona muricata, Flower-petal, Phytochemicals, PPAR?, ADMET, Liver function, Lipinski rule
HOW TO CITE THIS ARTICLE
Zacchaeus SO, Labunmi L, Olayinka FO, John CE, Bessie ET, Gabriel OO, Olaniyi OI, Olawumi TO, Anikeola CO. Exploration of Secondary Metabolites in Flower-Petal Annona muricata as Agonists for Peroxisome Proliferator-Activated Receptor-Alpha (PPAR?) for Liver Function. J Phytopharmacol 2023; 12(6):411-420. doi: 10.31254/phyto.2023.12607
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