苯并噻唑基吡唑衍生物的抗炎活性预测及靶合成

Farmacevticheskoe delo i tehnologija lekarstv (Pharmacy and Pharmaceutical Technology) Pub Date : 2022-02-15 DOI:10.33920/med-13-2202-01

P. S. Bobrov, D. Anenko, I. Kodonidi, G. A. Suboch

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引用次数: 0

摘要

本研究分析了苯并噻唑基吡唑衍生物的药物相似性，并预测了虚拟结构的药代动力学性质。使用Molegro Virtual Docker 6.0.1程序预测抗炎活性。首次报道了苯并噻唑取代4-氨基吡唑与苯甲醛、对羟基苯甲醛和苯甲酰氯的缩合反应。通过定向合成，得到了许多新的苯并噻唑基吡唑。产物的结构经红外光谱分析证实。

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Prediction of anti–inflammatory activity and target synthesis of benzothiazolylpyrazole derivatives

This work analyzes drug-likeness and predicts the pharmacokinetic properties of virtual structures of benzothiazolylpyrazole derivatives. Anti-inflammatory activity was predicted using the Molegro Virtual Docker 6.0.1 program. The condensation of benzothiazolyl-substituted 4-aminopyrazole with benzaldehyde, p-hydroxybenzaldehyde and benzoyl chloride has been described for the first time. As a result of targeted synthesis, a number of new benzothiazolylpyrazoles have been obtained. The structure of the products was confirmed by the data of IR spectroscopy.

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Farmacevticheskoe delo i tehnologija lekarstv (Pharmacy and Pharmaceutical Technology)

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