Molecular Modelling Technique on Interactivity between Human Carbonic Anhydrase 1 and Mangiferin for Antiulcer activity

Abstract

Mangiferin is obtained naturally from Mangifera indica which is used in treating various diseases including gastrointestinal tract diseases. Ulcer means the damage of the mucosal membrane which commonly occurs in the stomach and upper duodenum. In the study, an antiulcer activity was conducted and the interactivity of human carbonic anhydrase 1 was studied. The human carbonic anhydrase 1 enzyme belonging proteins were taken in the study for the molecular docking. It was observed that mangiferin showed better activity in treating ulcers. The human carbonic anhydrase enzyme also mentioned as CA1 is one of the major reasons for an increase in gastric acid which leads to ulcers. In this study, mangiferin was able to inhibit the action of the CA1 enzyme which was increasing the levels of hydrochloric acid and preventing the formation of ulcers. A protein of CA1 (PDB ID: 6G3V) was docked with mangiferin which showed good interaction with the mangiferin. Further albino rats were used for the study of ulcer activity. ADMET studies were performed for mangiferin which showed a low toxic effect. A detailed study has been depicted for ulceration and its prevention using mangiferin.