Effects of some anti-ulcer and anti-inflammatory natural products on cyclooxygenase and lipoxygenase enzymes: insights from in silico analysis

Abstract

<title>Abstract</title> Gastric and duodenal ulcers are increasingly becoming global health burdens. The side effects of conventional treatments such as non-steroid anti-inflammatory drugs (NSAIDs), proton pump inhibitors (PPIs), antibiotics, histamine H2 receptor antagonists (H2RAs), and cytoprotective agents have necessitated the search for new medications. Plants are a rich source of active metabolites and herbal medicines have been used in the treatment of ulcers and cancers. In this study, we used <italic>in silico</italic> methods to evaluate the effects of some anti-ulcer and anti-inflammatory phytochemicals on some key enzymes, cyclooxygenase (COX), and lipoxygenase (LOX) which are implicated in the protection and destruction of the gastric mucosa. Five compounds, rhamnetin, kaempferol, rutin, rosmarinic acid, and chlorogenic acid were identified to putatively bind to cyclooxygenase 2 (COX-2) and 5-lipoxygenase (5-LOX) but not to cyclooxygenase 1 (COX-1). The interaction mechanisms between these phytochemicals and the target proteins are discussed. The drug metabolism, pharmacokinetics, and toxicity of the compounds have been evaluated to assess their suitability as potential next-generation anti-ulcer and anti-inflammatory drugs.