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Molecules 2014, 19(3), 3417-3435; doi:10.3390/molecules19033417

Synthesis, Docking Study and β-Adrenoceptor Activity of Some New Oxime Ether Derivatives

1,2,* , 1, 1 and 1
1 Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura 35516, Egypt 2 Department of Pharmaceutical Chemistry, Faculty of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia
* Author to whom correspondence should be addressed.
Received: 17 February 2014 / Revised: 5 March 2014 / Accepted: 11 March 2014 / Published: 20 March 2014
(This article belongs to the Section Medicinal Chemistry)
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A new series of oxime ethers 4az was designed and synthesized to test the blocking activity against β1 and β2-adrenergic receptors. Docking of these ether derivatives into the active site of the identified 3D structures of β1 and β2-adrenergic receptors showed MolDock scores comparable to those of reference compounds. Biological results revealed that the inhibition effects on the heart rate and contractility are less than those of propranolol. Nevertheless, the two compounds 4p and 4q that displayed the highest negative MolDock score with β2-adrenergic receptors showed β2-antagonistic activity by decreasing salbutamol relaxation of precontracted tracheal strips, which indicates the importance of a chlorothiophene moiety in the hydrophobic region for best complementarity with β2 receptors. On other hand, the presence of a homoveratryl moiety increases the MolDock score of the tested compounds with the β1 receptor.
Keywords: synthesis; screening; docking; oxime ethers; adrenergic; β-receptors synthesis; screening; docking; oxime ethers; adrenergic; β-receptors
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Ghabbour, H.A.; El-Bendary, E.R.; El-Ashmawy, M.B.; El-Kerdawy, M.M. Synthesis, Docking Study and β-Adrenoceptor Activity of Some New Oxime Ether Derivatives. Molecules 2014, 19, 3417-3435.

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