Title:Biological Evaluation of Halogenated Thioureas as Cholinesterases Inhibitors Against Alzheimer’s Disease & Molecular Modeling Studies
Volume: 12
Issue: 6
Author(s): Jamshed Iqbal, Sumera Zaib, Aamer Saeed and Muhammad Muddassar
Affiliation:
Keywords:
Acetylcholinesterase, alzheimer’s disease, butyrylcholinesterase, docking simulations, halogenated thioureas, homology
models.
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.