In vitro and in silico Screening of Bioactive Compounds from Jasminum subtriplinerve Blume as α-glucosidase Inhibitor
Authors: Minh Ngoc Le , Bao Kim Nguyen , Nhu Son Nguyen , Thi Hong Khanh Do , Thanh Tung Bui 
Published: July 2022

The leaves of Jasminum subtriplinerve Blume were extracted by cold maceration with ethanol 70 % and subsequently fractionated with n-hexane, ethyl acetate (EtOAc), and n-butanol (n-BuOH) solvents. The extract and fractions were evaluated α-glucosidase inhibitory activities in vitro. The results have shown that n-hexane and EtOAc fractions had strong α-glucosidase inhibitory effects with IC50 values of 7.27 ± 0.71 mg/mL and 7.42 ± 0.95 mg/mL, respectively. The total extract, the n-BuOH fraction, and the aqueous fraction did not show inhibitory effects on the enzyme α-glucosidase. The molecular docking results revealed that rutin, isoverbascoside, astragalin, isoquercitrin, verbascoside, stigmasterol, nicotiflorin, and chevangin B might play an important role in the biological effect of this medicinal plant. Among these compounds, astragalin, isoquercitrin, verbascoside, and stigmasterol may be developed as drugs. Our findings suggested that leaves of Jasminum subtriplinerve Blume will be the potent resource of natural α-glucosidase inhibitors.
Keywords: α- glucosidase, diabetes, Jasminum subtriplinerve, molecular docking.
References
[1] S. Murugesu, Z. Ibrahim, Q. U. Ahmed, N. I. N. Yusoff, B. F. Uzir, V. Perumal et al., Characterization of Α-Glucosidase Inhibitors from Clinacanthus Nutans Lindau Leaves by Gas Chromatography-Mass Spectrometry-Based Metabolomics and Molecular Docking Simulation, Molecules, Vol, 23, No. 2402, 2018, pp. 1-21.[2] H. Sun, P. Saeedi, S. Karuranga, M. Pinkepank, K. Ogurtsova, B. B. Duncan et al., Idf Diabetes Atlas: Global, Regional and Country-Level Diabetes Prevalence Estimates for 2021 and Projections for 2045, Diabetes Research and Clinical Practice, 2021, pp. 109-119.[3] N. B. Ngoc, Z. L. Lin, W. Ahmed, Diabetes: What Challenges Lie Ahead for Vietnam? Annals of Global Health Vol. 86, No. 1, 2020, pp. 1-9[4] T. Matsui, T. Ueda, T. Oki, K. Sugita, N. Terahara, K. Matsumoto, Α-Glucosidase Inhibitory Action of Natural Acylated Anthocyanins, 2. Α-Glucosidase Inhibition by Isolated Acylated Anthocyanins, Journal of Agricultural and Food Chemistry, Vol. 49, No. 4, 2001, pp. 1952-1956.[5] D. H. Ngan, H. T. C. Hoai, L. M. Huong, P. E. Hansen, O. Vang, Bioactivities and Chemical Constituents of A Vietnamese Medicinal Plant Che Vang, Jasminum Subtriplinerve Blume (Oleaceae), Natural Product Research Vol. 22, No. 11, 2008, pp. 942-949.[6] F. M. Afrapoli, B. Asghari, S. Saeidnia, Y. Ajani, M. Mirjani, M. Malmir et al., In Vitro Α-Glucosidase Inhibitory Activity of Phenolic Constituents from Aerial Parts of Polygonum Hyrcanicum, Daru Journal Of Pharmaceutical Sciences, Vol. 20, No. 37, 2012, pp. 1-6.[7] H. Tang, L. Huang, C. Sun, D. Zhao, Exploring the Structure–Activity Relationship and Interaction Mechanism of Flavonoids and Α-Glucosidase Based on Experimental Analysis and Molecular Docking Studies, Food & Function Vol. 11, No. 4, 2020, pp. 3332-3350.[8] K. Yamamoto, H. Miyake, M. Kusunoki, S. Osaki, Crystal Structures of Isomaltase from Saccharomyces Cerevisiae and in Complex with its Competitive Inhibitor Maltose, The Febs Journal, Vol. 277, No. 20, 2010, pp. 4205-4214.[9] A. Nokhala, M. J. Siddiqui, Q. U. Ahmed, M. S. A. Bustamam, Z. A. Zakaria, Investigation of Α-Glucosidase Inhibitory Metabolites from Tetracera Scandens Leaves by Gc–Ms Metabolite Profiling and Docking Studies. Biomolecules, Vol. 10, No. 287, 2020, pp. 1-17.[10] D. N. Dai, T. D. Thang, I. A. Ogunwande, O. A. Lawal, Study on Essential Oils from the Leaves of Two Vietnamese Plants: Jasminum Subtriplinerve Cl Blume and Vitex Quinata (Lour) Fn Williams, Natural Product Research, Vol. 30, No. 7, 2016, pp. 860-864.[11] N. T. H. Huong, N. K. Q. Cu, T. V. Quy, C. Zidorn, M. Ganzera, H. Stuppner, A New Phenylpropanoid Glycoside from Jasminum Subtriplinerve Blume, Journal of Asian Natural Products Research, Vol. 10, No. 11, 2008, pp. 1035-1038.[12] K. E. Hevener, W. Zhao, D. M. Ball, K. Babaoglu, J. Qi, S.W. White et al., Validation of Molecular Docking Programs for Virtual Screening Against Dihydropteroate Synthase, Journal of Chemical Information and Modeling Vol. 4, No. 2, 2009, pp. 444-460.[13] C. A. Lipinski, Lead-and Drug-Like Compounds: The Rule-of-Five Revolution, Drug Discovery Today: Technologies, Vol. 1, No. 4, 2004, pp. 337-341.[14] B. Jayaram, T. Singh, G. Mukherjee, A. Mathur, S. Shekhar, V. Shekhar, Eds. Sanjeevini: A Freely Accessible Web-Server For Target Directed Lead Molecule Discovery, Proceedings of the BMC Bioinformatics, Vol. 13, No. 17S7, 2012, pp. 1-13.[15] D. E. Pires, T. L. Blundell, D. B. Ascher. Pkcsm: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties using Graph-Based Signatures, Journal of Medicinal Chemistry, Vol. 58, No. 9, 2015, pp. 4066-4072.[16] R. Shukla, V. Pandey, G. P. Vadnere, S. Lodhi, Role of Flavonoids in Management of Inflammatory Disorders, in: Bioactive Food as Dietary Interventionsfor Arthritis and Related Inflammatory Diseases, Elsevier, 2019, pp. 293-322.[17] H. C. Hong, S. L. Li, X. Q. Zhang, W. C. Ye, Q. W. Zhang, Flavonoids with Α-Glucosidase Inhibitory Activities and Their Contents in the Leaves of Morus Atropurpurea, Chinese Medicine, Vol. 8, No. 1, 2013, pp. 1-7.[18] K. Valentová, J. Vrba, M. Bancířová, J. Ulrichová, V. Křen, Isoquercitrin: Pharmacology, Toxicology, and Metabolism, Food and Chemical Toxicology, Vol. 68, 2014, pp. 267-282.[19] P. Aparna, A. K. Tiwari, P. V. Srinivas, A. Z. Ali, V. Anuradha, J. M. Rao, Dolichandroside A, A New Α‐Glucosidase Inhibitor and Dpph Free‐Radical Scavenger from Dolichandrone Falcata Seem, Phytotherapy Research: an International Journal Devoted to Pharmacological and Toxicological Evaluation of Natural Product Derivatives, Vol. 23, No. 4, 2009, pp. 591-596.[20] S. Tasnuva, U. Qamar, K. Ghafoor, F. Sahena, M. Jahurul, A. Rukshana et al., Α-Glucosidase Inhibitors Isolated from Mimosa Pudica L. Natural Product Research, Vol. 33, No. 10, 2019, pp. 1495-1499.[21] C. H. Jhong, J. Riyaphan, S. H. Lin, Y. C. Chia, C. F. Weng, Screening Alpha‐Glucosidase and Alpha‐Amylase Inhibitors from Natural Compounds by Molecular Docking in Silico, Biofactors, Vol. 41, No. 4, 2015, pp. 242-251.