Design,synthesis and evaluation of new 4-arylthiazole-2-amine derivatives as acetylcholinesterase inhibitors |
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| Affiliation: | 1. Department of Chemistry, Mirpur University of Science and Technology (MUST), 10250 Mirpur, AJK, Pakistan;2. Department of Chemistry, Khwaja Fareed University of Engineering & Information Technology, Rahim Yar Khan 64200, Pakistan;3. Instituto de Química – IQ, Universidade Federal de Goiás – UFG, Goiânia 74690-900, GO, Brazil;4. Instituto de Química – INQUI, Universidade Federal do Mato Grosso do Sul – UFMS, Campo Grande 79074-460, MS, Brazil;5. Department of Biosciences and Technology, Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan 64200, Pakistan;6. Beijing Institute of Technology, China;7. Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia;8. Department of Chemistry, Government Major Muhammad Afzal Khan (Shaheed), Boys Degree College Afzalpur, Mirpur, (Affiliated with Mirpur University of Science and Technology (MUST)), 10250 Mirpur AJK, Pakistan |
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| Abstract: | A series of new 4-arylthiazole-2-amine derivatives as acetylcholinesterase inhibitors (AChEIs) were designed and synthesized, Furthermore, their inhibitory activities against acetylcholinesterase in vitro were tested by Ellman spectrophotometry, and the results of inhibitory activity test showed that most of them had a certain acetylcholinesterase inhibitory activity in vitro. Moreover, the IC50 value of compound 4f was to 0.66 μM, which was higher than that of Rivastigmine and Huperzine-A as reference compounds, and it had a weak inhibitory effect on butyrylcholinesterase. The potential binding mode of compound 4f with AChE was investigated by the molecular docking, and the results showed that 4f was strongly bound up with AChE with the optimal conformation, in addition, their binding energy reached −11.27 Kcal*mol−1. At last, in silico molecular property of the synthesized compounds were predicted by using Molinspiration online servers. It can be concluded that the lead AChEIs compound 4f presented satisfactory drug-like characteristics. |
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| Keywords: | Acetylcholinesterase inhibitor Alzheimer’s disease Molecular docking |
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