Alpha-glucosidase inhibitors from Nervilia concolor,Tecoma stans,and Bouea macrophylla |
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Authors: | Kim-Ngoc Ha Tran-Van-Anh Nguyen Dinh-Tri Mai Nguyen-Minh-An Tran Ngoc-Hong Nguyen Giau Van Vo Thuc-Huy Duong Huy Truong Nguyen |
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Affiliation: | 1. CirTech Institute, Ho Chi Minh City University of Technology (HUTECH), 475 A Dien Bien Phu Street, Binh Thanh District, Ho Chi Minh City 700000, Viet Nam;2. Faculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City 700000, Viet Nam;3. Graduate University of Science and Technology, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Ha Noi 11355, Viet Nam;4. Institute of Chemical Technology, Vietnam Academy of Science and Technology, 01 Mac Dinh Chi, Ho Chi Minh City 71007, Viet Nam;5. Faculty of Chemical Engineering, Industrial University of Ho Chi Minh City, Ho Chi Minh City 71420, Viet Nam;6. Department of Biomedical Engineering, School of Medicine, Vietnam National University – Ho Chi Minh City (VNU-HCM), Ho Chi Minh City, Viet Nam;7. Vietnam National University – Ho Chi Minh City (VNU-HCM), Ho Chi Minh City 700000, Viet Nam;8. Department of Chemistry, University of Education, 280 An Duong Vuong Street, District 5, Ho Chi Minh City 72711, Viet Nam |
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Abstract: | Tecoma stans (L.) Juss. Ex Kunth is widely used in folk medicine. In ethnomedicine, it is applied as a cardioprotective, hepatoprotective, antiarthritic, antinociceptive, anti-inflammatory, and antimicrobial. The aqueous extract is considered antidiabetic, and is used as a traditional remedy in Mexico. More than 120 chemical constituents have been identified in its leaves, barks, and roots. However, less is known about the phytochemical properties of T. stans flower extracts. The herbal plant Nervilia concolor (Blume) Schltr. is native to Vietnam, and is used in traditional Chinese medicine to treat diseases such as bronchitis, stomatitis, acute pneumonia, and laryngitis. Only two previous reports have addressed the chemical content of this plant. Bouea macrophylla Griff., commonly known as marian plum or plum mango, is a tropical plant that is used to treat a range of illnesses. Phytochemical analysis of B. macrophylla suggests the presence of volatile components and flavonoids. However, existing data have been obtained from screening without isolation. As part of our ongoing search for alpha-glucosidase inhibitors from Vietnamese medicinal plants, we conducted bioactive-guided isolation of the whole plant N. concolor, the flowers of T. stans, and the leaves of B. macrophylla. We isolated and structurally elucidated five known compounds from T. stans: ursolic acid (TS1), 3-oxours-12-en-28-oic acid (TS2), chrysoeriol (TS3), ferulic acid (TS4), and tecomine (TS5). Three known compounds were isolated from Nervilia concolor: astragalin (NC1), isoquercitrin (NC2), and caffeic acid (NC3). From B. macrophylla, betullinic acid (BM1), methyl gallate (BM2), and 3-O-galloyl gallic acid methyl ester (BM3) were isolated. All compounds showed promising alpha-glucosidase inhibition, with IC50 values ranging from 1.4 to 143.3 µM. The kinetics of enzyme inhibition showed BM3 to be a competitive-type inhibitor. An in silico molecular docking model confirmed that compounds NC1, NC2, and BM3 were potential inhibitors of the α-glucosidase enzyme. Molecular dynamics simulations were carried out with compound BM3 demonstrating the best docking model during simulation up to 100 ns to explore the stability of the complex ligand–protein. |
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Keywords: | Ursolic acid Alpha-glucosidase Flavonoids Molecular docking Molecular dynamic simulations |
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