探索新型 4-噻唑烷酮衍生物作为双重抗炎和抗氧化剂的潜力：合成、药理活性和 Docking 分析

IF 1.7 3区化学 Q3 CHEMISTRY, ORGANIC

Current Organic Chemistry Pub Date : 2024-09-18 DOI:10.2174/0113852728301305240828073241

Amrita Yadav, Pooja A. Chawla, Simranpreet K. Wahan, Viney Chawla

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引用次数: 0

摘要

合成了一系列 4-噻唑烷酮，并通过 TLC、熔点以及红外光谱、1H NMR 和质谱等光谱数据对其进行了表征。通过体内研究确定了合成化合物的抗炎活性。通过卡拉胶诱导的大鼠爪水肿模型测定了合成化合物的抗氧化性。合成的化合物（A1-A14）显示出显著的抗炎和抗氧化活性。在抗氧化和抗炎活性方面，化合物 A8 的结果最有希望，它可能成为一种具有潜在自由基清除活性的强效抗炎剂。为了确定化合物与 COX-2 抑制剂（PDB ID：3LN1）活性位点的相互作用，研究人员进行了分子对接研究，结果表明化合物 A8 与 ASP483 和 LYS478 的相互作用使其对接得分最高。

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Exploring the Potential of Novel 4-Thiazolidinone Derivatives as Dual Anti-inflammatory and Antioxidant Agents: Synthesis, Pharmacological Activity and Docking Analysis

A series of 4-thiazolidinone was synthesized and characterized by means of TLC, melting point, and spectral data like IR, 1H NMR, and Mass spectra. The anti-inflammatory activity of the synthesized compounds was determined via in vivo studies. The antioxidant properties of the synthesized compounds were determined by carrageenan-induced rat paw edema model. The synthesized compounds (A1-A14) showed significant anti-inflammatory and antioxidant activities. The most promising results for both antioxidant and antiinflammatory activity were exhibited by compound A8 which may emerge as a potent anti-inflammatory agent with potential free radical scavenging activity. Molecular docking studies were carried out to determine the interaction of compounds into the active site of COX-2 inhibitor (PDB ID: 3LN1), which suggested compound A8 to have the best docking score by showing interactions with ASP483 and LYS478.

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来源期刊

Current Organic Chemistry 化学-有机化学

CiteScore

3.70

自引率

7.70%

发文量

审稿时长

1 months

期刊介绍： Current Organic Chemistry aims to provide in-depth/mini reviews on the current progress in various fields related to organic chemistry including bioorganic chemistry, organo-metallic chemistry, asymmetric synthesis, heterocyclic chemistry, natural product chemistry, catalytic and green chemistry, suitable aspects of medicinal chemistry and polymer chemistry, as well as analytical methods in organic chemistry. The frontier reviews provide the current state of knowledge in these fields and are written by chosen experts who are internationally known for their eminent research contributions. The Journal also accepts high quality research papers focusing on hot topics, highlights and letters besides thematic issues in these fields. Current Organic Chemistry should prove to be of great interest to organic chemists in academia and industry, who wish to keep abreast with recent developments in key fields of organic chemistry.