Screening of phytocompounds, molecular docking studies, and in vivo anti-inflammatory activity of heartwood aqueous extract of Pterocarpus santalinus L.f.

摘要

Objective:To evaluate the anti-inflammatory potential of aqueous extract of Pterocarpus santalinus L.f.heartwood using molecular docking and in vivo experiment.Methods:An aqueous extract of Pterocarpus santalinus heartwood was prepared using a Soxhlet apparatus.Phytocompounds in the extract were tentatively identified using high-resolution mass spectrometry.Molecular docking experiments were carried out to evaluate the binding affinity of selected compounds,phloridzin to cyclooxygenase-1(COX-1),cyclooxygenase-2(COX-2),prostaglandin E synthase-1(PGES-1)and 5-lipoxygenase(5-LOX).Anti-inflammatory potential was evaluated by carageenan induced paw edema model in rats.Results:The presence of major component phloridzin along with quercetin,parthenin,ginkgolide B,picrotoxinin,usnic acid,octopine,and epigallocatechin was detected in the extract.Molecular docking study showed that phloridzin inhibited COX-1,COX-2,PGES-1 and 5-LOX with more affinity than ibuprofen and paracetamol.Pterocarpus santalinus heartwood extract at 200 and 400 mg/kg BW showed significant reduction in carageenan-induced hind paw edema in a dose-dependent manner,but the effect was slow when compared with the standard ibuprofen(30 mg/kg p.o.).Conclusions:The study indicated that after clinical trials,the aqueous extract of Pterocarpus santalinus heartwood can be effectively used in phytotherapy to treat inflammation.