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Letters in Drug Design & Discovery

Editor-in-Chief

ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

Biological Evaluation of Halogenated Thioureas as Cholinesterases Inhibitors Against Alzheimer’s Disease & Molecular Modeling Studies

Author(s): Jamshed Iqbal, Sumera Zaib, Aamer Saeed and Muhammad Muddassar

Volume 12 , Issue 6 , 2015

Page: [488 - 494] Pages: 7

DOI: 10.2174/1570180812666141201222247

Price: $65

Abstract

Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibition is thought to be an encouraging approach towards the therapy of Alzheimer’s disease (AD). The current paper targets to give a concise information of mono and dihalo- substituted thioureas similarity with anti-AD potential. The present results represent evaluation of cholinesterase inhibitory potential for halogenated thioureas derivatives. Compound 1t was constituted to be highly potent inhibitor with Ki value 0.12 ± 0.05 µM against AChE, while 1b was most the active inhibitor for BChE with Ki value of 0.03 ± 0.001 µM. Molecular docking simulations were performed using the homology models of both cholinesterases in order to explore the plausible binding modes of synthesized compounds.

Keywords: Acetylcholinesterase, alzheimer’s disease, butyrylcholinesterase, docking simulations, halogenated thioureas, homology models.

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