Bài viết trình bày việc sàng lọc các hợp chất có tác dụng ức chế enzym PTP1B trong cây mướp đắng bằng phương pháp docking phân tử nhằm tìm kiếm hợp chất có thể phát triển thành thuốc để điều trị bệnh đái tháo đường. | VNU Journal of Science Medical and Pharmaceutical Sciences Vol. 37 No. 2 2021 39-49 Original Article Evaluating Protein Tyrosine Phosphatase 1B Inhibitory Activity of Bioactive Compounds from Momordica charantia for Diabetes Treatment Type 2 by using Molecular Docking Method Nguyen Hong Nhung1 Ta Thi Thu Hang1 Vu Khanh Linh1 Nguyen Bao Kim1 Pham The Hai2 Phan Hong Minh1 Bui Thanh Tung1 1 VNU University of Medicine and Pharmacy 144 Xuan Thuy Cau Giay Hanoi Vietnam 2 Hanoi University of Pharmacy 13-15 Le Thanh Tong Hoan Kiem Hanoi Vietnam Received 16 March 2021 Revised 22 March 2021 Accepted 22 March 2021 Abstract Diabetes mellitus is a chronic metabolic disease which is characterized by elevated blood glucose levels caused by a deficiency in insulin secretion from the β pancreatic s cells or the operability of insulin. The protein tyrosine phosphatase 1B PTP1B catalyzes to removing the phosphate group from the insulin receptor s phosphotyrosine then reducing insulin s effects. Therefore inhibiting this enzyme is an effective method to treat diabetes mellitus. Momordica charantia is effective in the treatment of diabetes mellitus. In this study we evaluated the inhibitory effects of PTP1B enzyme of Momordica charantia s compounds by using molecular docking method. Based on the previous publication of Momordica charantia we have collected 57 compounds. The results showed that 3 compounds have PTP1B inhibitory effect stronger than the positive control including Luteolin-7-O-glycoside apigenin-7-O-glycoside and δ-cadinene. Analysis Lipinski Rule of Five showed that Luteolin-7-O-glycoside and δ-cadinene have drug- likeness properties. Moreover predict ADMET showed that these two compounds have good intestinal absorption not metabolized in the liver excretion by the kidney and low toxicity. Conclusion Our findings suggested that luteolin-7-O-glycoside δ-cadinene may be potential natural product compounds for diabetes treatment type 2. Keywords Momordica charantia PTP1B .
