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Discovery of highly potent and selective D4 ligands by interactive SAR study. | LitMetric

Discovery of highly potent and selective D4 ligands by interactive SAR study.

Bioorg Med Chem Lett

Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Biotechnology, German University in Cairo, Cairo 11835, Egypt.

Published: September 2013

AI Article Synopsis

Article Abstract

A series of thienylmethylphenylpiperazins was synthesized and tested for affinity towards the five subtypes of dopaminergic receptors. Compound 5f showed more than 1000 folds selectivity to D4 receptors; analogue 5e showed the highest affinity to D4 receptors with Ki 3.9 nM. An interactive SAR approach was adopted and lead to compound 14a with Ki (D4) as low as 0.03 nM. Molecular docking studies showed a potential, first to report arene cation interaction between the D4 unique residue Arg-186 and the ligands' arene moiety, explaining the importance of having a strong negative electrostatic potential at this area of the compound structure.

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Source
http://dx.doi.org/10.1016/j.bmcl.2013.07.033DOI Listing

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