Structure-activity relationship of novel series of 1,5-disubstituted tetrazoles as cyclooxygenase-2 inhibitors: Design, synthesis, bioassay screening and molecular docking studies
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- 作者：Baker Jawabrah Al-Hourania ; b.jawabrah@aum.edu.jo" class="auth_mail" title="E-mail the corresponding author ; Wajdy Al-Awaidaa ; Khalid Z. Matalkab ; Musa I. El-Barghouthic ; Fatima Alsoubanic ; Frank Wuestd
- 关键词：1 ; 5-Disubstituted tetrazoles ; COX-2 inhibitors ; COX-1 inhibitors ; Molecular docking ; Structure&ndash ; activity relationship ; Methylsulfonyl ; Aminosulfonyl
- 刊名：Bioorganic & Medicinal Chemistry Letters
- 出版年：2016
- 出版时间：1 October 2016
- 年：2016
- 卷：26
- 期：19
- 页码：4757-4762
- 全文大小：1729 K
文摘
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New series of 1,5-disubstituted tetrazoles were designed and synthesized.
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In vitro bioassay data of the novel azoles as COX-1/COX-2 inhibitors were reported.
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Docking studies in the active site of COX-1/2 were conducted for selected azoles.
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Linker’s length/CH2 spacer controlled the azoles selectivity/potency for COX-1/2.
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Docking and bioassay studies proved the importance of the structural modifications.