title: Green synthesis, inhibition studies of yeast α-glucosidase and molecular docking of pyrazolylpyridazine amines.
abstract: An efficient and environmentally benign simple fusion reaction of 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine (1a) or 3-chloro-6-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)pyridazine (2a) with different aliphatic/aromatic amines have produced a series of novel pyrazolylpyridazine amines (4a-4c &5a-5m). All compounds exhibited moderate in vitro yeast α-glucosidase inhibition except m-chloro derivative 5g, which was found potent inhibitor of this enzyme with IC50value of 19.27±0.005µM. The molecular docking further helped in understanding the structure activity relationship of these compounds including 5g.
authors.affiliation: Institute of Chemistry, University of the Punjab, Lahore 54590, Pakistan; Department of Chemistry, Kinnaird College for Women, Lahore 54000, Pakistan. Electronic address: frylchaudhry@yahoo.com.
authors.forename: Faryal
authors.initials: F
authors.lastname: Chaudhry
authors.affiliation: Applied Chemistry Research Center, PCSIR Laboratories Complex, Lahore, Pakistan.
authors.forename: Abdul Qayuum
authors.initials: AQ
authors.lastname: Ather
authors.affiliation: Department of Chemistry, Stony Brook University, Long Island, NY 11794-3400, USA.
authors.forename: Mohammad Javaid
authors.initials: MJ
authors.lastname: Akhtar
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 Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
authors.forename: Mohammad
authors.initials: M
authors.lastname: Ashraf
authors.affiliation: Department of Chemistry, Forman Christian College (A Chartered University), Ferozepur Road, Lahore 54600, Pakistan.
authors.forename: Mariya
authors.initials: M
authors.lastname: Al-Rashida
authors.affiliation: Institute of Chemistry, University of the Punjab, Lahore 54590, Pakistan.
authors.forename: Munawar Ali
authors.initials: MA
authors.lastname: Munawar
authors.affiliation: Institute of Chemistry, University of the Punjab, Lahore 54590, Pakistan; Department of Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
authors.forename: Misbahul Ain
authors.initials: MA
authors.lastname: Khan
mesh_terms: D000586:Amination; D065089:Glycoside Hydrolase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D055772:Green Chemistry Technology / Q000379:methods; D062105:Molecular Docking Simulation; D011724:Pyridazines / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D012441:Saccharomyces cerevisiae / Q000737:chemistry / Q000187:drug effects / Q000201:enzymology*; D013329:Structure-Activity Relationship; D000520:alpha-Glucosidases / Q000737:chemistry / Q000378:metabolism*
chemical_list: D065089:Glycoside Hydrolase Inhibitors; D011724:Pyridazines; D000520:alpha-Glucosidases
keywords: Docking; Green chemistry; Nucleophilic substitution; Pyrazolylpyridazine amines; α-Glucosidase inhibitors