title: Synthesis, molecular docking, acetylcholinesterase and butyrylcholinesterase inhibitory potential of thiazole analogs as new inhibitors for Alzheimer disease.
abstract: A series of thirty (30) thiazole analogs were prepared, characterized by (1)H NMR, (13)C NMR and EI-MS and evaluated for Acetylcholinesterase and butyrylcholinesterase inhibitory potential. All analogs exhibited varied butyrylcholinesterase inhibitory activity with IC50 value ranging between 1.59±0.01 and 389.25±1.75μM when compared with the standard eserine (IC50, 0.85±0.0001μM). Analogs 15, 7, 12, 9, 14, 1, 30 with IC50 values 1.59±0.01, 1.77±0.01, 6.21±0.01, 7.56±0.01, 8.46±0.01, 14.81±0.32 and 16.54±0.21μM respectively showed excellent inhibitory potential. Seven analogs 15, 20, 19, 24, 28, 30 and 25 exhibited good acetylcholinesterase inhibitory potential with IC50 values 21.3±0.50, 35.3±0.64, 36.6±0.70, 44.81±0.81, 46.36±0.84, 48.2±0.06 and 48.72±0.91μM respectively. All other analogs also exhibited well to moderate enzyme inhibition. The binding mode of these compounds was confirmed through molecular docking.
authors: Department of Chemistry, Hazara University, Mansehra, Khyber Pakhtunkhwa, Pakistan. Electronic address: fazalstar@gmail.com.
authors: Fazal
authors: F
authors: Rahim
authors: Department of Chemistry, Hazara University, Mansehra, Khyber Pakhtunkhwa, Pakistan.
authors: Muhammad Tariq
authors: MT
authors: Javed
authors: Department of Chemistry, Hazara University, Mansehra, Khyber Pakhtunkhwa, Pakistan.
authors: Hayat
authors: H
authors: Ullah
authors: Department of Biochemistry, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
authors: Abdul
authors: A
authors: Wadood
authors: Atta-ur-Rahman Institute for Natural Product Discovery, Universiti Teknologi MARA (UiTM), Puncak Alam Campus, 42300 Bandar Puncak Alam, Selangor, Malaysia; Faculty of Applied Science UiTM, 40450 Shah Alam, Selangor, Malaysia.
authors: Muhammad
authors: M
authors: Taha
authors: Department of Biochemistry and Biotechnology, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
authors: Muhammad
authors: M
authors: Ashraf
authors: Department of Biochemistry and Biotechnology, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
authors: Qurat-ul-Ain
authors: National Centre of Excellence in Physical Chemistry, University of Peshawar, KPK, Pakistan.
authors: Muhammad Anas
authors: MA
authors: Khan
authors: Department of Chemistry, Hazara University, Mansehra, Khyber Pakhtunkhwa, Pakistan.
authors: Fahad
authors: F
authors: Khan
authors: H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
authors: Salma
authors: S
authors: Mirza
authors: H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
authors: Khalid M
authors: KM
authors: Khan
mesh_terms: D000544:Alzheimer Disease; D002091:Butyrylcholinesterase; D020134:Catalytic Domain; D002800:Cholinesterase Inhibitors / Q000494:pharmacology*; D062105:Molecular Docking Simulation; D013844:Thiazoles / Q000494:pharmacology*
chemical_list: D002800:Cholinesterase Inhibitors; D013844:Thiazoles; D002091:Butyrylcholinesterase
keywords: Acetylcholinesterase inhibition; Alzheimer’s disease; Butyrylcholinesterase Inhibition; Molecular docking; Synthesis; Thiazole