Abstract

{2-[(2-Hydroxyethyl)sulfanylmethyl]indol-3-yl}acetic ester and hydrazide were synthesized for use in the directed synthesis of {2-[(2-hydroxyethyl)sulfanylmethyl]indol-3-yl}acetic acid–derived pyrazole. Predictive analysis and in silico calculations of the bioavailability, potential toxicity, and anti-inflammatory activity of the synthesized compounds were carried out by molecular docking assessment of their inhibitory activity against cyclooxygenases.

中文翻译：

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2-(磺基甲基)吲哚-3-基乙酸衍生物：合成和抗炎活性的计算机预测

摘要

合成了{2-[(2-羟乙基)硫基甲基]吲哚-3-基}乙酸酯和酰肼，用于直接合成{2-[(2-羟乙基)硫基甲基]吲哚-3-基}乙酸–衍生的吡唑。通过分子对接评估合成化合物对环氧合酶的抑制活性，对合成化合物的生物利用度、潜在毒性和抗炎活性进行预测分析和计算机计算。