Pleurotus pulmonarius is an affordable edible fungus extensively utilized in food and traditional medicine. This study aims to comprehensively profile the water-soluble bioactive compounds in P. pulmonarius and identify those responsible for modulating monocyte immune response. The crude extract, prepared through hot water extraction, was analyzed for its biological activities using untargeted LC/MS-MS analysis and molecular docking. The potential compound-targeted proteins in monocytes were investigated and further identified using the MCODE algorithm. The pharmacokinetic properties and the biological activity of tentative compounds were studied using absorption, distribution, metabolism, excretion, and toxicity (ADMET) and PASS analysis. The findings revealed that 164 chromatographic peaks were detected in ESI-positive mode, and 36 bioactive compounds were proposed. The top seven candidate compounds found abundantly in the mushroom were selected, including diacylglycerol, phosphatidylethanolamine, phosphatidylinositol, glutathione, quercetin 3-(6-O-acetyl-beta-glucoside), dihydroresveratrol, and aspartic acid. Notably, glutathione, quercetin, and dihydroresveratrol demonstrated promising potential proinflammatory inhibitors, with their binding affinities surpassing those of known inhibitors (−2.32 kcal/mol for glutathione; −6.76 kcal/mol for quercetin and −5.02 to −7.02 kcal/mol for dihydroresveratrol). Additionally, dihydroresveratrol showed promise as an immunomodulatory agent due to its favorable absorption, distribution, and safety profile. These findings highlight the potential of P. Pulmonarius, particularly dihydroresveratrol as a natural alternative immunomodulator for addressing monocyte-related inflammation.
Key words: Edible mushroom, monocyte, dihydroresveratrol, anti-inflammatory activity, molecular docking, LC-MS/MS
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