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Research Paper on Benzimidazole-Based Thiazole Derivatives: Synthesis, Biological Analysis, and Molecular Docking Study of Multipotent Cholinesterase Inhibitors for the Treatment of Alzheimer’s Disease

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Research Paper on Benzimidazole-Based Thiazole Derivatives: Synthesis, Biological Analysis, and Molecular Docking Study of Multipotent Cholinesterase Inhibitors for the Treatment of Alzheimer’s Disease

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Title: Benzimidazole-Based Thiazole Derivatives: Synthesis, Biological Analysis, and Molecular Docking Study of Multipotent Cholinesterase Inhibitors for the Treatment of Alzheimer’s Disease

Abstract: The potential to inhibit butyrylcholinesterase (BuChE) and acetylcholinesterase (AChE) in vitro was examined for 24 analogues of benzimidazole-based thiazoles (1-24). As compared to the industry standard drug Donepezil (IC50 = 2.16 0.12 and 4.5 0.11 M, respectively), all analogues were found to exhibit good inhibitory potential against cholinesterase enzymes. Their IC50 values ranged from 0.10, 0.05 to 11.10 0.30 M (for AChE) and 0.20, 0.050 M to 14.20 0.10 M (for BuChE). Analogues 16 and 21 from the series were discovered to be the most powerful inhibitors of the AChE and BuChE enzymes. The main factors influencing the structure-activity relationship were the number (s), types, electron-donating or -withdrawing effects, and position of the substituent(s) on both phenyl rings B & C. (SAR). Molecular docking studies were carried out to investigate the interactions of the most active derivatives with the amino acids in the active site of the enzyme. The outcomes confirmed the findings of the experiment. All newly synthesized compounds’ structures were also clarified using a variety of spectroscopic techniques, including 13C-NMR, 1H-NMR, and HR EIMS.

Keywords: Synthesis; acetylcholinesterase; butyrylcholinesterase; benzimidazole; thiazole; structureactivity relationship; molecular docking

Paper Quality: SCOPUS / Web of Science Level Research Paper

Subject: Chemistry

Writer Experience: 20+ Years

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