A novel series of silyl-yne containing chalcone derivatives 5a-5j was synthesized by exploiting Sonogashira coupling reaction and Claisen-Schimdt condensation reaction. The synthesized derivative were characterized by spectroscopic and elemental analysis. The selective inhibition of carbonic anhydrases is considered critical in the field of medicinal chemistry because carbonic anhydrases exits in several isoforms. Synthesized compounds were subjected to carbonic anhydrase -II assay. Except 5j, the other derivatives exhibited better potential than standard acetazolamide. Compound 5e was found to be potent derivative in the series with IC50 value 0.054 ± 0.001 µM. Binding analysis revealed that most potent derivative 5e binds in the active site of CA-II and single π-π stacking interaction was observed between ring structure of ligand and Phe129 having bond length 4.90 Å. Pharmacokinetics elicited that compounds obey Lipinski's rule and show significant drug score.

中文翻译：

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基于1-（2-羟基-5-（（三甲基甲硅烷基）乙炔基）苯基）乙酮的α，β-不饱和衍生物是非磺酰胺碳酸酐酶II抑制剂的替代品，通过Sonogashira偶联合成，结合分析，Lipinsk规则验证。

利用Sonogashira偶联反应和Claisen-Schimdt缩合反应合成了一系列新的含甲硅烷基炔的查耳酮衍生物5a-5j。通过光谱和元素分析对合成的衍生物进行表征。碳酸酐酶的选择性抑制在药物化学领域被认为是至关重要的，因为碳酸酐酶以几种同工型存在。对合成的化合物进行碳酸酐酶-II测定。除5j外，其他衍生物的电势均优于标准乙酰唑胺。发现化合物5e是该系列的有效衍生物，IC50值为0.054±0.001 µM。结合分析表明，大多数有效的衍生物5e在CA-II的活性位点结合，并且在配体的环结构和具有键长4.90的Phe129之间观察到单个π-π堆积相互作用。药代动力学研究表明这些化合物符合Lipinski规则并显示出显着的药物评分。