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Novel Aryl(4-Phenylpiperazin-1-Yl)Methanethione Derivatives As New Anti-Alzheimer Agents: Design, Synthesis, in Vitro and in Silico Assays Publisher



Ansari S1 ; Noori M2 ; Pedrood K2 ; Mohammadikhanaposhtani M3 ; Moazzam A2 ; Hosseini S4 ; Larijani B2 ; Adibi H2 ; Biglar M2 ; Hamedifar H1 ; Rahmani H5 ; Mahdavi M2 ; Sadeghian N6, 7 ; Taslimi P6
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Authors Affiliations
  1. 1. CinnaGen Medical Biotechnology Research Center, Alborz University of Medical Sciences, Karaj, Iran
  2. 2. Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran
  3. 3. Cellular and Molecular Biology Research Center, Health Research Institute, Babol University of Medical Sciences, Babol, Iran
  4. 4. Shahid Beheshti University of Medical Sciences, Tehran, Iran
  5. 5. Department of Health Management and Economics, School of Public Health, Tehran University of Medical Sciences, Tehran, Iran
  6. 6. Department of Biotechnology, Faculty of Science, Bartin University, Bartin, Turkey
  7. 7. Department of Molecular Biology and Genetics, Faculty of Science, Bartin University, Bartin, 74100, Turkey

Source: Journal of Molecular Structure Published:2022


Abstract

In this work, a new series of aryl(4-phenylpiperazin-1-yl)methanethione derivatives 4a-n was designed, synthesized, and evaluated against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α-glucosidase. Most of the synthesized derivatives were more potent than standard inhibitor donepezil against AChE and all the synthesized compounds were more potent than donepezil against BChE. Moreover, some of these new compounds were more potent than acarbose (positive control) against α-glucosidase. The obtained results revealed that (3-chlorophenyl)(4-phenylpiperazin-1-yl)methanethione 4k and was the most potent compound against cholinesterase enzymes (AChE and BChE). Docking study of compound 4k in the active site of cholinesterase enzymes showed that this compound established important interactions with the main residues of the target enzymes. Druglikeness/ADME/Toxicity profile prediction of the most potent compounds also demonstrated that these compounds can be drug candidates and have the appropriate properties in terms of ADME and Toxicity. © 2022 Elsevier B.V.
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