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Identification of Dipeptidyl Peptidase-4 and α-Amylase Inhibitors from Melicope glabra (Blume) T. G. Hartley (Rutaceae) Using Liquid Chromatography Tandem Mass Spectrometry, In Vitro and In Silico Methods
| Content Provider | MDPI |
|---|---|
| Author | Quek, Alexandra Kassim, Nur Kartinee Ismail, Amin Latif, Muhammad Alif Mohammad Shaari, Khozirah Tan, Dai Chuan Lim, Pei Cee |
| Copyright Year | 2020 |
| Description | The present study investigated the antidiabetic properties of the extracts and fractions from leaves and stem bark of M. glabra based on dipeptidyl peptidase-4 (DPP-4) and α-amylase inhibitory activity assays. The chloroform extract of the leaves was found to be most active towards inhibition of DPP-4 and α-amylase with IC50 of 169.40 μg/mL and 303.64 μg/mL, respectively. Bioassay-guided fractionation of the leaves’ chloroform extract revealed fraction 4 (CF4) as the most active fraction (DPP-4 IC50: 128.35 μg/mL; α-amylase IC50: 170.19 μg/mL). LC-MS/MS investigation of CF4 led to the identification of trans-decursidinol (1), swermirin (2), methyl 3,4,5-trimethoxycinnamate (3), renifolin (4), 4′,5,6,7-tetramethoxy-flavone (5), isorhamnetin (6), quercetagetin-3,4′-dimethyl ether (7), 5,3′,4′-trihydroxy-6,7-dimethoxy-flavone (8), and 2-methoxy-5-acetoxy-fruranogermacr-1(10)-en-6-one (9) as the major components. The computational study suggested that (8) and (7) were the most potent DPP-4 and α-amylase inhibitors based on their lower binding affinities and extensive interactions with critical amino acid residues of the respective enzymes. The binding affinity of (8) with DPP-4 (−8.1 kcal/mol) was comparable to that of sitagliptin (−8.6 kcal/mol) while the binding affinity of (7) with α-amylase (−8.6 kcal/mol) was better than acarbose (−6.9 kcal/mol). These findings highlight the phytochemical profile and potential antidiabetic compounds from M. glabra that may work as an alternative treatment for diabetes. |
| Starting Page | 1 |
| e-ISSN | 14203049 |
| DOI | 10.3390/molecules26010001 |
| Journal | Molecules |
| Issue Number | 1 |
| Volume Number | 26 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2020-12-22 |
| Access Restriction | Open |
| Subject Keyword | Molecules Integrative and Complementary Medicine Melicope Glabra Antidiabetic Diabetes Dpp-4 Α-amylase Molecular Docking Flavonoids Phenolics |
| Content Type | Text |
| Resource Type | Article |