Thiadiazole derivatives as New Class of β-glucuronidase inhibitors

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• 作者：Uzma Salar^a ; Muhammad Taha^b ; ^c ; ^{taha_hej@yahoo.com" class="auth_mail" title="E-mail the corresponding author} ; ^{muhamm9000@puncakalam.uitm.edu.my" class="auth_mail" title="E-mail the corresponding author} ; Nor Hadiani Ismail^b ; Khalid Mohammed Khan^a ; ^{hassaan2@super.net.pk" class="auth_mail" title="E-mail the corresponding author} ; ^{khalid.khan@iccs.edu" class="auth_mail" title="E-mail the corresponding author} ; Syahrul Imran^b ; Shahnaz Perveen^d ; Abdul Wadood^e ; Muhammad Riaz^e
• 关键词：Synthesis ; Thiadiazole ; β-Glucuronidase ; In vitro ; Molecular docking ; Structure&ndash ; activity relationship
• 刊名：Bioorganic & Medicinal Chemistry
• 出版年：2016
• 出版时间：15 April 2016
• 年：2016
• 卷：24
• 期：8
• 页码：1909-1918
• 全文大小：3936 K

文摘

Thiadiazole derivatives class="boldFont">1–class="boldFont">24 were synthesized via a single step reaction and screened for in vitro β-glucuronidase inhibitory activity. All the synthetic compounds displayed good inhibitory activity in the range of IC₅₀ = 2.16 ± 0.01–58.06 ± 1.60 μM as compare to standard class="smallcaps">d-saccharic acid 1,4-lactone (IC₅₀ = 48.4 ± 1.25 μM). Molecular docking study was conducted in order to establish the structure–activity relationship (SAR) which demonstrated that thiadiazole as well as both aryl moieties (aryl and N-aryl) involved to exhibit the inhibitory potential. All the synthetic compounds were characterized by spectroscopic techniques ¹H, ¹³C NMR, and EIMS.