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Synthesis and in-silico studies of some diaryltriazole derivatives as potential cyclooxygenase inhibitors

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Abstract

The synthesis of several 4-phenyl-5-pyridin-4-yl-2,3-dihydro-3H-1,2,4-triazole-3-thiones possessing N-2 Mannich bases or S-alkyl substituents, is reported. Several of them exhibited a low nanomolar COX enzyme inhibition activity. Most of the compounds showed inhibition of edema was similar to that evoked by celocoxib in animal model. Molecular docking studies of the compounds into the binding sites of COX-1 and COX-2 allowed us to shed light on the binding mode of these novel COX inhibitors.

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Acknowledgments

The authors are grateful to the sponsorship of the Research Centre, College of Pharmacy and the Deanship of Scientific Research, King Saud University, Riyadh 11451, Saudi Arabia.

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Authors and Affiliations

  1. Kayyali’s Chair, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia

    Awwad A. Radwan

  2. Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Assiut University, Assiut, 71527, Egypt

    Awwad A. Radwan

  3. Department of Pharmacology, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh, 11421, Saudi Arabia

    Kamal E. H. elTahir

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  1. Awwad A. Radwan
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Correspondence to Awwad A. Radwan.

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Radwan, A.A., elTahir, K.E.H. Synthesis and in-silico studies of some diaryltriazole derivatives as potential cyclooxygenase inhibitors. Arch. Pharm. Res. 36, 553–563 (2013). https://doi.org/10.1007/s12272-013-0078-6

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