title: In silico molecular docking and in vitro antidiabetic studies of dihydropyrimido[4,5-a]acridin-2-amines.
abstract: An in vitro antidiabetic activity on α -amylase and α -glucosidase activity of novel 10-chloro-4-(2-chlorophenyl)-12-phenyl-5,6-dihydropyrimido[4,5-a]acridin-2-amines (3a-3f) were evaluated. Structures of the synthesized molecules were studied by FT-IR, (1)H NMR, (13)C NMR, EI-MS, and single crystal X-ray structural analysis data. An in silico molecular docking was performed on synthesized molecules (3a-3f). Overall studies indicate that compound 3e is a promising compound leading to the development of selective inhibition of α -amylase and α -glucosidase.
authors.affiliation: Chemistry Research Laboratory, Organic Chemistry Division, School of Advanced Sciences, VIT University, Vellore, Tamil Nadu 632 014, India.
authors.forename: A
authors.initials: A
authors.lastname: Bharathi
authors.affiliation: Chemistry Research Laboratory, Organic Chemistry Division, School of Advanced Sciences, VIT University, Vellore, Tamil Nadu 632 014, India.
authors.forename: Selvaraj Mohana
authors.initials: SM
authors.lastname: Roopan
authors.affiliation: Bioinformatics Division, School of Bio Sciences and Technology, VIT University, Vellore, Tamil Nadu 632 014, India.
authors.forename: C S
authors.initials: CS
authors.lastname: Vasavi
authors.affiliation: Bioinformatics Division, School of Bio Sciences and Technology, VIT University, Vellore, Tamil Nadu 632 014, India.
authors.forename: Punnagai
authors.initials: P
authors.lastname: Munusami
authors.affiliation: Division of Industrial Biotechnology, School of Bio Sciences and Technology, School of Advanced Sciences, VIT University, Vellore, Tamil Nadu 632 014, India.
authors.forename: G A
authors.initials: GA
authors.lastname: Gayathri
authors.affiliation: Division of Industrial Biotechnology, School of Bio Sciences and Technology, School of Advanced Sciences, VIT University, Vellore, Tamil Nadu 632 014, India.
authors.forename: M
authors.initials: M
authors.lastname: Gayathri
mesh_terms: D003198:Computer Simulation; D018360:Crystallography, X-Ray; D003920:Diabetes Mellitus / Q000188:drug therapy*; D065089:Glycoside Hydrolase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry; D007004:Hypoglycemic Agents / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D000516:alpha-Amylases / Q000037:antagonists & inhibitors / Q000737:chemistry*
chemical_list: D065089:Glycoside Hydrolase Inhibitors; D007004:Hypoglycemic Agents; D000516:alpha-Amylases