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黄酮酰肼席夫碱衍生物的合成、抗糖尿病作用及定量构效关系分析。

Synthesis, anti-diabetic and QSAR analysis of flavone hydrazide Schiff base derivatives.

机构信息

Institute of Advance Research Studies in Chemical Sciences, University of Sindh Jamshoro, Hyderabad, Pakistan.

Dow College of Biotechnology, Department of Bioinformatics, Dow University of Health Sciences, Karachi, Pakistan.

出版信息

J Biomol Struct Dyn. 2022;40(23):12723-12738. doi: 10.1080/07391102.2021.1975565. Epub 2021 Sep 13.

Abstract

This study reports synthesis of flavone hydrazide Schiff base derivatives with diverse functionalities for the cure of diabetic mellitus and their inhibitor and studies. In this regard, Flavone derivatives has synthesized and characterized by various spectroscopic techniques. These compounds showed significant potential towards enzyme inhibition activity and found to be many fold better active than the standard Acarbose (IC = 39.45 ± 0.11 µM). The ICvalues ranges 1.0238.1 µM. Among these, compounds (IC = 4.6 ± 0.23 µM), (IC = 1.02 ± 0.2 µM), (IC = 7.1 ± 0.11 µM), (IC = 8.3 ± 0.34 µM), (IC = 7.4 ± 0.15 µM), (IC = 8.5 ± 0.27 µM) and (IC = 1.09 ± 0.26 µM) showed highest activity. It was revealed that the analogues having -OH substitution have higher activity than their look likes. The molecular docking analysis revealed that these molecules have high potential to interact with the protein molecule and have high ability to bind with the enzyme. Furthermore, pharmacokinetics, physicochemical studies were also performed for these derivatives. The bioavailability radar analysis explored that of all these compounds have excellent bioavailability for five (5) descriptors, however, the sixth descriptor of instauration is slightly increased in all compounds.Communicated by Ramaswamy H. Sarma.

摘要

这项研究报告了具有多种功能的黄酮酰肼席夫碱衍生物的合成,用于治疗糖尿病及其抑制剂研究。在这方面,已经通过各种光谱技术合成并表征了黄酮衍生物。这些化合物表现出对酶抑制活性的显著潜力,并且被发现比标准阿卡波糖(IC = 39.45 ± 0.11 μM)活性高得多。IC 值范围为 1.0238.1 μM。在这些化合物中,化合物(IC = 4.6 ± 0.23 μM)、(IC = 1.02 ± 0.2 μM)、(IC = 7.1 ± 0.11 μM)、(IC = 8.3 ± 0.34 μM)、(IC = 7.4 ± 0.15 μM)、(IC = 8.5 ± 0.27 μM)和(IC = 1.09 ± 0.26 μM)表现出最高的活性。结果表明,具有-OH 取代的类似物比其类似物具有更高的活性。分子对接分析表明,这些分子具有与蛋白质分子相互作用的高潜力,并具有与酶结合的高能力。此外,还对这些衍生物进行了药代动力学和物理化学研究。生物利用度雷达分析表明,所有这些化合物在五个(5)描述符上都具有极好的生物利用度,然而,所有化合物的第六个描述符的启动略有增加。由 Ramaswamy H. Sarma 传达。

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