In vivo analgesic effect of different extracts of Hopea odorata leaves in mice and in silico molecular docking and ADME/T property analysis of some isolated compounds from this plant

Abstract

AbstractBackgroundThe current study evaluates the analgesic effect of different extracts ofHopea odorataleaves in mice followed by molecular docking and absorption, distribution, metabolism, excretion, and toxicity (ADME/T) analysis of isolated compounds derived from the plant with the COX-1 enzyme.MethodsIn the present study, the dried leaves ofH. odoratawere subjected to extraction using methanol, ethanol, and water.In vivoanalgesic activity was evaluated by using the acetic acid-induced writhing test and formalin-induced paw licking test, andin silicomolecular docking and ADME/T study were performed using Schrödinger Maestro (version 11.1) and online-based tools, respectively, on eight isolated compounds.ResultsThe results showed that the methanolic extract of leaves has highest significant dose-dependent analgesic activity at both 200 and 400 mg/kg followed by ethanolic extract of leaves. Among all the compounds, ampelopsin showed the best docking score of −7.055, ensuring strong binding affinity between the ligand and the receptor, and ADME/T analysis using Web-based tools ensures the compound has not violated Lipinski’s rule of five indicating its safety consumption.ConclusionsThe result confirms the analgesic activity ofH. odorataleaves in bothin vivoandin silicoassays. The data support ampelopsin to be a potent analgesic compound worthy of future clinical trials and its “drug-likeliness”