Channar Pervaiz Ali, Saeed Aamer, Afzal Saira, Hussain Dilawar, Kalesse Markus, Shehzadi Syeda Aaliya, Iqbal Jamshed
Department of Chemistry, Quaid-i-Azam University, Islamabad, 45320, Pakistan.
Centre for Advanced Drug Research, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, 22060, Pakistan.
Mol Divers. 2021 May;25(2):1-13. doi: 10.1007/s11030-020-10057-7. Epub 2020 Feb 24.
Synthesis of a novel series of hydrazine clubbed 1,3-thiazoles (5a-m) has been described by reacting hydrazine-1-carbothioamides (3a-k) with α-chloro- or bromo-acetophenones (4a-d) in refluxing ethanol in good to excellent yields (65-86%). Structural confirmation was based upon spectroscopic techniques such as H-NMR, C-NMR, FT-IR and mass spectrometry. The biological application of these motifs has been demonstrated in terms of their strong urease inhibition activity. The results of in vitro study revealed that all the compounds are the potent inhibitors of urease. The IC (ranging in between 110 and 440 nM) values were higher as compared to that of standard, i.e., thiourea (IC = 490 ± 10 nM). The synthesized compounds were docked at the active sites of the Jack bean urease enzyme in order to explore the possible binding interactions of enzyme-ligand complexes; the results reinforced the in vitro biological activity results.
通过使肼-1-碳硫酰胺（3a-k）与α-氯代或溴代苯乙酮（4a-d）在回流乙醇中反应，以良好至优异的产率（65-86%）描述了一系列新型肼基连接的1,3-噻唑（5a-m）的合成。结构确证基于诸如H-NMR、C-NMR、FT-IR和质谱等光谱技术。这些基序的生物学应用已通过其强大的脲酶抑制活性得到证明。体外研究结果表明，所有化合物都是脲酶的有效抑制剂。与标准品硫脲（IC = 490 ± 10 nM）相比，IC（范围在110至440 nM之间）值更高。为了探索酶-配体复合物可能的结合相互作用，将合成的化合物对接在刀豆脲酶的活性位点；结果强化了体外生物学活性结果。
