Molecular hybrids based on thiazolidin‐4‐one and pyrazolyl pharmacophore (THZP) as new antidiabetic agents were synthesized. Two sets of signals came into view in ¹H NMR of THZP8‐THZP14 exhibited the presence of a configurational isomeric mixture of 2E,5Z (38.24%‐41.58%) and 2Z,5Z isomers (58.42%‐61.76%), which was further endorsed by density functional theory (DFT) studies. All the compounds exhibit promising nonlinear optical properties (NLO). Further, the biological potential of THZPs was explored in terms of α‐amylase and α‐glucosidase inhibition. DFT‐based descriptors were calculated to describe the reactivity, and a relationship was developed with biological activities. THZP9 and THZP14 showed remarkable inhibition of α‐amylase and α‐glucosidase with IC₅₀ 9.90μM and 4.84μM, respectively, as compared with standard drug acarbose.

中文翻译：

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噻唑烷-4-一棒状吡唑杂种：具有NLO性质的有效α-淀粉酶和α-葡萄糖苷酶抑制剂

合成了基于噻唑烷丁-4-酮和吡唑基药效团（THZP）作为新型抗糖尿病药的分子杂种。在THZP8-THZP14的¹ H NMR中观察到两组信号，显示存在2 E，5 Z（38.24％-41.58％）和2Z，5Z异构体（58.42％-61.76％）的构型异构混合物。密度泛函理论（DFT）的研究进一步认可了这一观点。所有化合物均显示出有希望的非线性光学性质（NLO）。此外，从α-淀粉酶和α-葡萄糖苷酶抑制方面探讨了THZPs的生物学潜力。计算基于DFT的描述符以描述反应性，并与生物活性建立了关系。THZP9和THZP14表明α淀粉酶和α葡萄糖苷酶的显着的抑制作用，IC ₅₀ 9.90μM和4.84μM，分别作为与标准药物阿卡波糖相比。