title: Molecular docking study on platelet-activating factor antagonistic activity of bioactive compounds isolated from Guttiferae and Ardisia species.
abstract: A handful of bioactive compounds from plants have been reported to possess platelet-activating factor (PAF) antagonist activity. However, their mode of action is not well understood. Selected bioactive compounds that exhibit PAF antagonist activity and synthetic PAF antagonists were subjected to docking simulations using the MOE 2007.09 software package. The docking study of PAF antagonists was carried out on the PAF receptor (PAFR) protein which involves in various pathological responses mediated by PAF. The docking results revealed that amentoflavone (3) showed good interactions with the PAFR model where the flavone and phenolic moieties were mostly involved in these interactions. Knowledge on PAF antagonists' interactions with the PAFR model is a useful screening tool of potential PAF antagonists prior to performing PAF inhibitory assay.
authors.affiliation: a Faculty of Pharmacy, Drugs and Herbal Research Centre, Universiti Kebangsaan Malaysia , Jalan Raja Muda Abd. Aziz, 50300 Kuala Lumpur , Malaysia.
authors.forename: Malina
authors.initials: M
authors.lastname: Jasamai
authors.forename: Juriyati
authors.initials: J
authors.lastname: Jalil
authors.forename: Ibrahim
authors.initials: I
authors.lastname: Jantan
mesh_terms: D031644:Ardisia / Q000737:chemistry*; D044946:Biflavonoids / Q000737:chemistry; D001665:Binding Sites; D028084:Clusiaceae / Q000737:chemistry*; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D010972:Platelet Activating Factor / Q000037:antagonists & inhibitors*; D010980:Platelet Membrane Glycoproteins / Q000378:metabolism; D043562:Receptors, G-Protein-Coupled / Q000378:metabolism; D012118:Resorcinols / Q000737:chemistry; D012984:Software
chemical_list: D044946:Biflavonoids; D010972:Platelet Activating Factor; D010980:Platelet Membrane Glycoproteins; D043562:Receptors, G-Protein-Coupled; D012118:Resorcinols; C039351:platelet activating factor receptor; C011164:amentoflavone; C031389:resorcinol
keywords: antagonist; molecular docking; platelet activating factor; receptor