Molecular docking investigation of anti-inflammatory herbal compounds as potential LOX-5 and COX-2 inhibitors

According to the World Journal of Gastroenterology, more than 5 million people worldwide suffer from inflammatory bowel disease. The use phytotherapeutic remedies in treatment chronic processes can be an effective alternative patient’s therapy. advantage herbal medicines is ability influence various links pathogenesis, lack addiction, and absence withdrawal syndrome with long-term pathology. In order develop a new combined remedy anti-inflammatory activity for colitis, thirteen herbs, which are used official or traditional medicine processes, were selected among Ukrainian flora members. To select most promising drugs optimize further pharmacological research, molecular docking main active substances herbs fundamental pro-inflammatory enzymes – lipoxygenase-5 (LOX-5) cyclooxygenase-2 (COX-2) was carried out. Native inhibitors AKBA celecoxib, respectively, as reference ligands. selection candidate structures silico research out according bibliosemantic logical-structural analysis concerning effect substances, part chemical composition herbs. Molecular results have shown high affinity level site LOX-5 inhibitor gallotannin, quercetin, inulin, sitosterine, moderate ellagic acid. High COX-2 found acid urticin A, one gallic For vitro vivo studies activity, medicinal highest content mentioned compounds selected: Inula helenium , Cichorium intybus Capsella bursa-pastoris Foeniculum vulgare Equisetum arvense Veronica officinalis . Besides, it recommended aqueous extracts studies.