Synthesis and Molecular Docking Analysis of New Thiazo-isoindolinedione Hybrids as Potential Inhibitors of the SARS-CoV-2 Main Protease

IF 0.3 Q4 CHEMISTRY, MULTIDISCIPLINARY

Oriental Journal Of Chemistry Pub Date : 2023-08-30 DOI:10.13005/ojc/390412

S. Shaaban, A. A. Al-karmalawy, Abdulrahman G. Alhamzani, M. Abou-Krisha, Mahmoud A. Al-Qudah, T. Yousef

引用次数: 0

Abstract

Herein, we report the synthesis of novel thiazo-isoindolinedione derivatives in excellent yields (up to 92%) from the reaction of thiazolidinedione and isoindoline-dione. The structures of the novel compounds were elucidated by 1H-, 13C-NMR, and MS analyses. Furthermore, molecular docking analysis was performed to study the potential inhibition of the SARS-CoV-2 main protease (Mpro) by the new thiazo-isoindolinediones. The present study revealed that the new thiazo-isoindolinediones could inhibit the Mpro and represent a promising platform for the experimental development of new antiviral drugs based on thiazo-isoindolinedione scaffolds.

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新型噻唑-异吲哚二酮杂合体作为SARS-CoV-2主要蛋白酶抑制剂的合成及分子对接分析

在此，我们报道了由噻唑烷二酮和异吲哚啉二酮的反应以优异的产率（高达92%）合成新的噻嗪异吲哚啉酮衍生物。通过1H-、13C-NMR和MS分析对这些新化合物的结构进行了鉴定。此外，还进行了分子对接分析，以研究新型噻嗪-异吲哚啉二酮对严重急性呼吸系统综合征冠状病毒2型主要蛋白酶（Mpro）的潜在抑制作用。本研究表明，新的噻嗪异吲哚啉二酮可以抑制Mpro，并为基于噻嗪异靛啉二酮支架的新型抗病毒药物的实验开发提供了一个很有前途的平台。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Oriental Journal Of Chemistry CHEMISTRY, MULTIDISCIPLINARY-

自引率

20.00%

发文量

172

期刊介绍： Oriental Journal of Chemistry was started in 1985 with the aim to promote chemistry research. The journal consists of articles which are rigorously peer-reviewed. The journal was indexed in Emerging Science citation index in 2016. The Editorial board member consists of eminent international scientist in all fields of Chemistry. Details of each member and their contact information is mentioned in website. The journal has thorough ethics policies and uses plagiarism detection software(ithenticate) to screen each submission. The journal has recently partnered with publons as a part of making our reviews more transparent. The journal has recently incorporated PlumX for article level matrix. The journal is promoting research on all social and academic platforms mentioned in PlumX guidelines. The journal uses google maps to improve on the geographical distribution of Editorial board members as well as authors.