Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

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Abstract

Synthesis of 2-(4-aryl(adamantyl)-2-phenyl??m??noth??azol-3-yl)-ethanol derivatives and prediction of their biological activity

Author(s): H. O. Yeromina, I. V. Drapak, L. O. Perekhoda, V. D. Yaremenko and A. M. Demchenko

The synthesis of new 2-(4-aryl(adamantyl)-2-phenyl??m??noth??azol-3-yl)-ethanol derivatives has been carried out. The structures and purity of synthesized compounds were verified on the basis of elemental analysis, 1Н NMRspectroscopy and chromatography-mass spectrometry. To optimize the pharmacological screening of 2-(4- aryl(adamantyl)-2-phenyl??m??noth??azol-3-yl)-ethanol derivatives «drug-like» parameters have been calculated and simulation of biological properties has been done. It was established that 13 synthesized compounds comply with Lipinski's Rule of Five and can be recommended for experimental biological tests. Based on data PASS-prediction as priority directions for experimental trials screening for anti-ischemic and anti-inflammatory activity has been chosen. The most perspective substances for experimental biological tests were elected.


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