In this study, some new pyrazoline derivatives bearing cyano or nitro groups were synthesized. The structures of the compounds were characterized by IR, 1H-NMR, 13C-NMR and elemental analysis data. The ABTS·+, DPPH·, CUPRAC and β-Carotene/linoleic acid assays were carried out to determine the antioxidant activity of the synthesized pyrazolines. Compound P14 showed higher antioxidant activity than the standard substance BHA with IC50 values of 1.71±0.31 μM and 0.29±0.04 μM in ABTS+ and β-carotene/linoleic acid assays, respectively. Compound P12 also exhibited higher antioxidant activities than BHA with an IC50 value of 0.36±0.14 μM in β-carotene/linoleic acid analysis. In activity studies of pyrazolines against cholinesterase (AChE and BChE), tyrosinase, α-amylase and α- glucosidase, compound P1 (IC50 = 39.51±3.80 μM) showed higher activity against α-amylase and compounds P5 and P12 displayed higher activity against α-glucosidase than acarbose with IC50 values of 14.09±0.62 and 83.26±2.57 μM, respectively. The drug-like properties such as Lipinski and Veber, bioavailability and toxicity risks of the synthesized compounds were also evaluated. The compounds were predicted to be compatible with Lipinski and Veber rules, have high bioavailability and low toxicity profiles. Moreover, molecular docking studies were performed to better understand the high activity of the compounds against a-amylase and a-glucosidase enzymes.

中文翻译：

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一些新型3,5-二取代-1-苯基-4,5-二氢-1H-吡唑衍生物的合成、表征、分子对接研究和生物学评价

本研究合成了一些带有氰基或硝基的新型吡唑啉衍生物。通过IR、1H-NMR、13C-NMR和元素分析数据对化合物的结构进行了表征。通过ABTS·+、DPPH·、CUPRAC 和β-胡萝卜素/亚油酸测定来测定合成的吡唑啉的抗氧化活性。化合物P14比标准物质BHA表现出更高的抗氧化活性，在ABTS+和β-胡萝卜素/亚油酸测定中IC50值分别为1.71±0.31 μM和0.29±0.04 μM。化合物 P12 还表现出比 BHA 更高的抗氧化活性，在 β-胡萝卜素/亚油酸分析中 IC50 值为 0.36±0.14 μM。在吡唑啉对胆碱酯酶（AChE 和 BChE）、酪氨酸酶、α-淀粉酶和 α-葡萄糖苷酶的活性研究中，化合物 P1 (IC50 = 39.51±3.80 μM) 对 α-淀粉酶表现出更高的活性，化合物 P5 和 P12 对 α-淀粉酶表现出更高的活性-葡萄糖苷酶比阿卡波糖的IC50值分别为14.09±0.62和83.26±2.57 μM。还评估了合成化合物的类药特性（例如 Lipinski 和 Veber）、生物利用度和毒性风险。这些化合物预计符合 Lipinski 和 Veber 规则，具有高生物利用度和低毒性。此外，还进行了分子对接研究，以更好地了解这些化合物对α-淀粉酶和α-葡萄糖苷酶的高活性。