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磷钨酸功能化的FeO磁性纳米颗粒与TiO混合对新型螺吖啶合成的催化影响及其通过分子对接研究对其药用潜力的评估。

The catalytic influence of phosphotungstic acid-functionalized FeO MNPs blended with TiO on the synthesis of novel spiro-acridines and the evaluation of their medicinal potential through molecular docking studies.

作者信息

Potdar Shweta, Pal Nikita, Sharma Pratibha, Kumar Ashok

机构信息

School of Chemical Sciences, Devi Ahilya University Takshashila Campus, Khandwa Road Indore M.P. 452001 India

出版信息

RSC Adv. 2020 Dec 16;10(72):44442-44452. doi: 10.1039/d0ra06975b. eCollection 2020 Dec 9.

Abstract

This manuscript describes an effective and rapid three-component synthesis of a novel series of spiro-acridine derivatives by integrating the pharmacologically dynamic hydantoin-phenytoin as the prime synthetic equivalent. The process was accelerated by FeO@TiO-PTA magnetic nanoparticles (MNPs), which acted as the heterogeneous catalytic system, under ultrasonic conditions. The reaction was performed in the green PEG-200 solvent under aerophilic conditions to obtain products with excellent yields. The characteristics of the synthesized magnetic nano-catalysts were corroborated through powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDAX), FT-IR, and VSM techniques. In addition, the structures of the synthesized compounds were ascertained on the basis of elemental analyses and spectro-analytical data (H NMR, C NMR, and mass spectrometry). High yields, smaller -factor, considerable atom economy, easy recovery, and recyclability of the catalyst and solvent are the captivating features of the developed protocol. Moreover, in view of the ongoing global research on COVID-19, herein, we tried to identify the potential sites of the synthesized moiety that can suitably fit the receptor sites of the main protease of SARS-CoV-2 (SARS-CoV-2 M).

摘要

本手稿描述了一种有效且快速的三组分合成方法,通过整合具有药理活性的乙内酰脲 - 苯妥英作为主要合成等价物,合成了一系列新型螺吖啶衍生物。在超声条件下,由FeO@TiO - PTA磁性纳米颗粒(MNPs)作为多相催化体系加速了该过程。反应在绿色PEG - 200溶剂中于需氧条件下进行,以获得高产率的产物。通过粉末X射线衍射(PXRD)、场发射扫描电子显微镜(FE - SEM)、能量色散X射线光谱(EDAX)、傅里叶变换红外光谱(FT - IR)和振动样品磁强计(VSM)技术对合成的磁性纳米催化剂的特性进行了确证。此外,根据元素分析和光谱分析数据(1H NMR、13C NMR和质谱)确定了合成化合物的结构。高产率、较小的因子、可观的原子经济性、催化剂和溶剂易于回收及可循环利用是所开发方案的吸引人的特点。此外,鉴于目前全球对COVID - 19的研究,在此,我们试图确定合成部分中可能适合严重急性呼吸综合征冠状病毒2(SARS-CoV-2)主要蛋白酶(SARS-CoV-2 M)受体位点的潜在位点。

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