Insight into the Potential of Meehania fargesii var. Radicans against Hp‐Induced Gastric Carcinoma Based on Phytochemical and Molecular Docking Studies

• Published in: Chemistry & biodiversity 2022-07, Vol.19 (7), p.e202200383-n/a
• Main Authors: Zhou, GuangXin, Song, Ce, Liu, XuePeng, Zhao, JiaMing, Meng, DaLi
• Format: Article
• Language: English
• Subjects: Amoxicillin; Binding; Cancer; Chemical composition; chemotaxonomy; Clarithromycin; Drugs; Flavone glycosides; Gastric cancer; Glycosides; Helicobacter pylori; Herbal medicine; HtrA; Lamiaceae; Medicinal plants; Meehania; Meehania fargesii var. radicans; Metabolites; Molecular docking; NMR; Nuclear magnetic resonance; Omeprazole; Phytochemicals; Secondary metabolites; Triterpenoids
• ISSN: 1612-1872; 1612-1880
• DOI: 10.1002/cbdv.202200383

We used UV‐guided method to isolate and identify 12 secondary metabolites from Meehania fargesii var. Radicans for the first time, including eight triterpenoids (1–8), two phenylpropanoid derivatives (9–10) and two flavone glycosides (11–12). Their structures were identified by NMR spectroscopic methods, as well as literature comparison. The identified compounds and positive drugs (amoxicillin, omeprazole and clarithromycin) were further analyzed for their in silico docking interactions with HtrA using igemdock. Docking studies revealed the high binding affinity of phytochemicals at significant sites with HtrA, compounds 11 and 12 exhibiting stronger binding ability than standard drug, 1 and 3–10 demonstrating comparable docking capacity to standard drugs. The chemotaxonomic relationships were carried out to exploring the possibilities of other medicinal plants against Hp‐induced gastric carcinoma. The results demonstrated there are closely chemotaxonomic similarity among several genera of the Lamiaceae family as well as among Lamiaceae, Actinidiaceae and Rosaceae families, indicating a similar chemical compositions and anti‐Hp‐induces gastric carcinoma activity among them.