Hussain_2022_Molecules_27_6087

Reference

Title : Multipotent Cholinesterase Inhibitors for the Treatment of Alzheimer's Disease: Synthesis, Biological Analysis and Molecular Docking Study of Benzimidazole-Based Thiazole Derivatives - Hussain_2022_Molecules_27_6087
Author(s) : Hussain R , Ullah H , Rahim F , Sarfraz M , Taha M , Iqbal R , Rehman W , Khan S , Shah SAA , Hyder S , Alhomrani M , Alamri AS , Abdulaziz O , Abdelaziz MA
Ref : Molecules , 27 :6087 , 2022
Abstract :

Twenty-four analogues of benzimidazole-based thiazoles (1-24) were synthesized and assessed for their in vitro acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitory potential. All analogues were found to exhibit good inhibitory potential against cholinesterase enzymes, having IC(50) values in the ranges of 0.10 +/- 0.05 to 11.10 +/- 0.30 microM (for AChE) and 0.20 +/- 0.050 microM to 14.20 +/- 0.10 microM (for BuChE) as compared to the standard drug Donepezil (IC(50) = 2.16 +/- 0.12 and 4.5 +/- 0.11 microM, respectively). Among the series, analogues 16 and 21 were found to be the most potent inhibitors of AChE and BuChE enzymes. The number (s), types, electron-donating or -withdrawing effects and position of the substituent(s) on the both phenyl rings B & C were the primary determinants of the structure-activity relationship (SAR). In order to understand how the most active derivatives interact with the amino acids in the active site of the enzyme, molecular docking studies were conducted. The results obtained supported the experimental data. Additionally, the structures of all newly synthesized compounds were elucidated by using several spectroscopic methods like (13)C-NMR, (1)H-NMR and HR EIMS.

PubMedSearch : Hussain_2022_Molecules_27_6087
PubMedID: 36144820

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Citations formats

Hussain R, Ullah H, Rahim F, Sarfraz M, Taha M, Iqbal R, Rehman W, Khan S, Shah SAA, Hyder S, Alhomrani M, Alamri AS, Abdulaziz O, Abdelaziz MA (2022)
Multipotent Cholinesterase Inhibitors for the Treatment of Alzheimer's Disease: Synthesis, Biological Analysis and Molecular Docking Study of Benzimidazole-Based Thiazole Derivatives
Molecules 27 :6087

Hussain R, Ullah H, Rahim F, Sarfraz M, Taha M, Iqbal R, Rehman W, Khan S, Shah SAA, Hyder S, Alhomrani M, Alamri AS, Abdulaziz O, Abdelaziz MA (2022)
Molecules 27 :6087