Molecular modeling of potential inhibitors of inflammatory cascade enzymes from bioactive components of Matricaria suaveolens

Abstract

. Inflammatory processes underlie the development of a wide range of pathological conditions – from acute pain syndromes to chronic degenerative diseases. Modern non-steroidal antiinflammatory drugs (NSAIDs) act by inhibiting the enzymes cyclooxygenase (COX-1, COX-2) andlipoxygenase (LOX-5) and are highly effective; however, their use is often accompanied by side effects such as gastrotoxicity, nephrotoxicity, and an increased cardiovascular risk [1]. This highlights the need to search for new, safer anti-inflammatory agents of natural origin. Plants of the genus Matricaria are known for their high content of flavonoids, phenolic acids, and other bioactive compounds that can potentially affect the key enzymes of the inflammatory cascade [2]. In particular, sweet chamomile (Matricaria suaveolens) represents a promising source of such substances; however, its molecular mechanisms of anti-inflammatory action remain insufficiently studied. The aim of this study was to perform in silico prediction of the affinity of biologically active compounds identified in Matricaria suaveolens toward key enzymes of the inflammatory response – LOX-5,COX-1 and COX-2