title: Isolation and in silico evaluation of antidiabetic molecules of Cynodon dactylon (L.).
abstract: Cynodon dactylon is a potential source of metabolites such as flavanoids, alkaloids, glycosides and β-sitosterol and has been traditionally employed to treat urinary tract and other microbial infections and dysentery. The present work attempts to evaluate the activity of C. dactylon extracts for glycemic control. Aqueous extracts of C. dactylon analyzed by HPLC-ESI MS have identified the presence of apigenin, luteolin, 6-C-pentosyl-8-C-hexosyl apigenin and 6-C-hexosyl-8-C-pentosyl luteolin. Evaluation of hypoglycemic activity through an extensive in silico docking approach with PPARγ (Peroxisome Proliferator-Activated Receptor), GLUT-4 (glucose transporter-4) and SGLT2 (sodium glucose co-transporter-2) revealed that luteolin, apigenin, 6-C-pentosyl-8-C-hexosyl apigenin, 6-C-hexosyl-8-C-pentosyl luteolin interact with SGLT2. Interactions of these molecules with Gln 295 and Asp 294 residues of SGLT2 have been shown to compare well with that of the phase III drug, dapagliflozin. These residues have been proven to be responsible for sugar sensing and transport. This work establishes C. dactylon extract as a potential SGLT2 inhibitor for diabetic neuropathy thus enabling a possibility of this plant extract as a new alternative to existing diabetic approaches.
authors.affiliation: Department of Bioinformatics, School of Chemical & Biotechnology, SASTRA University, Thanjavur, Tamil Nadu, India.
authors.forename: Hasthi V
authors.initials: HV
authors.lastname: Annapurna
authors.forename: Babu
authors.initials: B
authors.lastname: Apoorva
authors.forename: Natesan
authors.initials: N
authors.lastname: Ravichandran
authors.forename: Kallur Purushothaman
authors.initials: KP
authors.lastname: Arun
authors.forename: Pemaiah
authors.initials: P
authors.lastname: Brindha
authors.forename: Sethuraman
authors.initials: S
authors.lastname: Swaminathan
authors.forename: Mahadevan
authors.initials: M
authors.lastname: Vijayalakshmi
authors.forename: Arumugam
authors.initials: A
authors.lastname: Nagarajan
mesh_terms: D002851:Chromatography, High Pressure Liquid; D031744:Cynodon / Q000737:chemistry*; D051275:Glucose Transporter Type 4 / Q000737:chemistry / Q000378:metabolism; D007004:Hypoglycemic Agents / Q000737:chemistry* / Q000302:isolation & purification* / Q000378:metabolism; D062105:Molecular Docking Simulation; D047495:PPAR gamma / Q000737:chemistry / Q000378:metabolism; D010936:Plant Extracts / Q000737:chemistry*; D011485:Protein Binding; D051297:Sodium-Glucose Transporter 2 / Q000737:chemistry / Q000378:metabolism; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D051275:Glucose Transporter Type 4; D007004:Hypoglycemic Agents; D047495:PPAR gamma; D010936:Plant Extracts; D051297:Sodium-Glucose Transporter 2