title: Synthesis, in vitro evaluation and molecular docking studies of thiazole derivatives as new inhibitors of α-glucosidase.
abstract: A series of thiazole derivatives 1-21 were prepared, characterized by EI-MS and (1)H NMR and evaluated for α-glucosidase inhibitory potential. All twenty one derivatives showed good α-glucosidase inhibitory activity with IC50 value ranging between 18.23±0.03 and 424.41±0.94μM when compared with the standard acarbose (IC50, 38.25±0.12μM). Compound (8) (IC50, 18.23±0.03μM) and compound (7) (IC50=36.75±0.05μM) exhibited outstanding inhibitory potential much better than the standard acarbose (IC50, 38.25±0.12μM). All other analogs also showed good to moderate enzyme inhibition. Molecular docking studies were carried out in order to find the binding affinity of thiazole derivatives with enzyme. Studies showed these thiazole analogs as a new class of α-glucosidase inhibitors.
authors.affiliation: Department of Chemistry, Hazara University, Mansehra 21120, Pakistan. Electronic address: fazalstar@gmail.com.
authors.forename: Fazal
authors.initials: F
authors.lastname: Rahim
authors.affiliation: Department of Chemistry, Hazara University, Mansehra 21120, Pakistan.
authors.forename: Hayat
authors.initials: H
authors.lastname: Ullah
authors.affiliation: Department of Chemistry, Hazara University, Mansehra 21120, Pakistan.
authors.forename: Muhammad Tariq
authors.initials: MT
authors.lastname: Javid
authors.affiliation: Department of Biohemistry, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
authors.forename: Abdul
authors.initials: A
authors.lastname: Wadood
authors.affiliation: Atta-ur-Rahman Institute for Natural Product Discovery, Universiti Teknologi MARA, Puncak Alam Campus, Malaysia; Faculty of Applied Science, Universiti Teknologi MARA, 40450 Shah Alam, Selangor D.E., Malaysia.
authors.forename: Muhammad
authors.initials: M
authors.lastname: Taha
authors.affiliation: Department of Biochemistry and Biotechnology, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
authors.forename: Muhammad
authors.initials: M
authors.lastname: Ashraf
authors.affiliation: Department of Biochemistry and Biotechnology, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
authors.forename: Ayesha
authors.initials: A
authors.lastname: Shaukat
authors.affiliation: Department of Biohemistry, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
authors.forename: Muhammad
authors.initials: M
authors.lastname: Junaid
authors.affiliation: H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
authors.forename: Shafqat
authors.initials: S
authors.lastname: Hussain
authors.affiliation: Department of Chemistry, Hazara University, Mansehra 21120, Pakistan.
authors.forename: Wajid
authors.initials: W
authors.lastname: Rehman
authors.affiliation: Department of Conservation Studies, Hazara University, Mansehra 21120, Pakistan.
authors.forename: Rashad
authors.initials: R
authors.lastname: Mehmood
authors.affiliation: Department of Biochemistry, Hazara University, Mansehra 21120, Pakistan.
authors.forename: Muhammad
authors.initials: M
authors.lastname: Sajid
authors.affiliation: Department of Chemistry, Hazara University, Mansehra 21120, Pakistan.
authors.forename: Muhammad Naseem
authors.initials: MN
authors.lastname: Khan
authors.affiliation: H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
authors.forename: Khalid Mohammed
authors.initials: KM
authors.lastname: Khan
mesh_terms: D020909:Acarbose / Q000494:pharmacology; D065089:Glycoside Hydrolase Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology*; D006834:Hydrazines / Q000138:chemical synthesis* / Q000494:pharmacology*; D062105:Molecular Docking Simulation; D010636:Phenols / Q000138:chemical synthesis* / Q000494:pharmacology*; D029701:Saccharomyces cerevisiae Proteins / Q000737:chemistry; D013844:Thiazoles / Q000138:chemical synthesis* / Q000494:pharmacology*; D000520:alpha-Glucosidases / Q000737:chemistry / Q000187:drug effects*
chemical_list: C000607262:2,6-di-t-butyl-4-((2-(4-(4-chlorophenyl)thiazole-2-yl)hydrazono)methyl)-phenol; C000607263:2-(2-(4-(benzyloxy)benzylidene)hydrazinyl)-4-(4-chlorophenyl)thiazole; D065089:Glycoside Hydrolase Inhibitors; D006834:Hydrazines; D010636:Phenols; D029701:Saccharomyces cerevisiae Proteins; D013844:Thiazoles; D000520:alpha-Glucosidases; D020909:Acarbose
keywords: Molecular docking; Synthesis; Thiazole; α-Glucosidase inhibition