新型 3-羟基吡啶-4-酮类似物的合成、抗菌评价、分子对接和 ADME 预测。
New 3-Hydroxypyridine-4-one Analogues: Their Synthesis, Antimicrobial Evaluation, Molecular Docking, and ADME Prediction.
机构信息
Department of Medicinal Chemistry, Faculty of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.
出版信息
Med Chem. 2024;20(9):900-911. doi: 10.2174/0115734064307744240523112710.
INTRODUCTION
Drug resistance to existing antimicrobial drugs has become a serious threat to human health, which highlights the need to develop new antimicrobial agents.
METHODS
In this study, a new set of 3-hydroxypyridine-4-one derivatives (6a-j) was synthesized, and the antimicrobial effects of these derivatives were evaluated against a variety of microorganisms using the microdilution method. The antimicrobial evaluation indicated that compound 6c, with an electron-donating group -OCH at the meta position of the phenyl ring, was the most active compound against and species with an MIC value of 32 μg/mL. Compound 6c was more potent than ampicillin as a reference drug.
RESULTS
The antifungal results showed that the studied derivatives had moderate effects (MIC = 128-512 μg/mL) against and species. The molecular modeling studies revealed the possible mechanism and suitable interactions of these derivatives with the target protein.
CONCLUSION
The obtained biological results offer valuable insights into the design of more effective antimicrobial agents.
简介
现有抗菌药物的耐药性已对人类健康构成严重威胁，这凸显了开发新型抗菌药物的必要性。
方法
本研究合成了一组新的 3-羟基吡啶-4-酮衍生物（6a-j），并采用微量稀释法评估了这些衍生物对多种微生物的抗菌作用。抗菌评价表明，化合物 6c（苯环间位带有供电子基团-OCH）对 和 种属的活性最高，MIC 值为 32 μg/mL。化合物 6c 的活性强于作为参考药物的氨苄西林。
结果
抗真菌结果表明，所研究的衍生物对 和 种属具有中等活性（MIC = 128-512 μg/mL）。分子建模研究揭示了这些衍生物与靶蛋白的可能作用机制和合适的相互作用。
结论
获得的生物学结果为设计更有效的抗菌药物提供了有价值的见解。
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