Searching for potential inhibitors of soluble epoxide hydrolase from xanthone derivatives: An in silico study

Cardiovascular diseases (CVDs) remain a leading cause of global mortality, driven by conditions such as hypertension, atherosclerosis, and heart failure. Soluble epoxide hydrolase (sEH) plays a pivotal role in the metabolism of epoxyeicosatrienoic acids (EETs), molecules that regulate vascular tone, inflammation, and blood pressure. By hydrolyzing EETs into less active diols, sEH promotes CVD progression. Inhibiting sEH has emerged as a promising therapeutic strategy, offering potential to alleviate inflammation, protect the cardiovascular system, and prevent disease development. Xanthone compounds originating from plants exhibit potent antioxidant, anti‐inflammatory, and vasoprotective properties, making them promising candidates for cardiovascular disease drug development. This research conducted in silico study of 3000 xanthone derivatives in searching for potential inhibitors of sEH. The obtained results revealed that compounds D1220 and D1367 could be potent, safe, and novel inhibitors based on computational simulation and druglikeness properties.