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Synthesis, biological evaluation and molecular modeling study of substituted 1,2,4-triazole-3-acetic acid derivatives | Abstract

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

ISSN: 0975-413X
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Abstract

Synthesis, biological evaluation and molecular modeling study of substituted 1,2,4-triazole-3-acetic acid derivatives

Author(s): Hend A. A. Abd El-wahab, Hamdy M. Abdel-Rahman, Gamal-Eldin S. Alkaramany and Mahmoud A. El-Gendy

A series of 1,2,4-triazole-3-acetamides 3a-b, 1-acylated-1,2,4-triazole-3- acetamides 4a-b, ethyl 5-(2-substitutedacetamido)-1H-1,2,4-triazole-3-acetates 6, 7, 8, ethyl 1- substituted (carbamoyl and thiocarbamoyl)-5-amino-1H-1,2,4-triazole-3-acetates 9a-j and ethyl 5-(3(4- chlorophenyl)ureido-1H-1,2,4-triazol-3-acetate 10 were synthesized. The obtained compounds were evaluated for their anti-inflammatory. Most of the tested compounds exhibited significant anti-inflammatory activities with compounds 9a-j were better than indomethacin. None of the tested compounds showed significant antitumor activity. Finally docking of selected compounds was performed to COX-2 and COX-1 enzymes in order to rationalize the obtained antiinflammatory results and to predict the selectivity of the synthesized compounds.


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