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

被引：3
|
作者：
Shaaban, Saad [1 ,2 ]
Al-Karmalawy, Ahmed A. [3 ]
Alhamzani, Abdulrahman G. [4 ]
Abou-Krisha, Mortaga M. [4 ,5 ]
Al-Qudah, Mahmoud A. [4 ,6 ]
Yousef, Tarek A. [4 ,7 ]
机构：
[1] King Faisal Univ, Dept Chem, Coll Sci, Al Hasa 31982, Saudi Arabia
[2] Mansoura Univ, Dept Chem, Fac Sci, Mansoura 35516, Egypt
[3] Ahram Canadian Univ, Dept, Fac Pharm, Giza 12566, Egypt
[4] Imam Mohammad Ibn Saud Islam Univ, Dept Chem, Coll Sci, Riyadh 11623, Saudi Arabia
[5] Yarmouk Univ, Dept Chem, Fac Sci, POB 566, Irbid 21163, Jordan
[6] South Valley Univ, Dept Chem, Qena 83523, Egypt
[7] Minist Justice, Dept Toxic & Narcot Drug, Forens Med, Medicolegal Org,Mansoura Lab, Cairo, Egypt
来源：
ORIENTAL JOURNAL OF CHEMISTRY | 2023年 / 39卷 / 04期
关键词：
Condensation; COVID-19; Isoindolinedione; Thiazolidinedione; Molecular docking;
D O I：
10.13005/ojc/390412
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
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 H-1-, C-13-NMR, and MS analyses. Furthermore, molecular docking analysis was performed to study the potential inhibition of the SARS-CoV-2 main protease (M-pro) 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.
引用
收藏
页码：913 / 918
页数：6
相关论文
共 50 条
  • [21] Identification of Potential Inhibitors of SARS-CoV-2 Main Protease from Allium roseum L. Molecular Docking Study
    Benhander, Gazala Mohamed
    Abdusalam, Ashraf Ahmed Ali
    CHEMISTRY AFRICA-A JOURNAL OF THE TUNISIAN CHEMICAL SOCIETY, 2022, 5 (01): : 57 - 67
  • [22] Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2
    Mahmud, Shafi
    Uddin, Mohammad Abu Raihan
    Zaman, Meemtaheena
    Sujon, Khaled Mahmud
    Rahman, Md Ekhtiar
    Shehab, Mobasshir Noor
    Islam, Ariful
    Alom, Md Wasim
    Amin, Al
    Akash, Al Shahriar
    Abu Saleh, Md
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2021, 39 (16): : 6281 - 6289
  • [23] Ensemble docking based virtual screening of SARS-CoV-2 main protease inhibitors
    Fomina, Anastasia D.
    Uvarova, Victoria I.
    Kozlovskaya, Liubov I.
    Palyulin, Vladimir A.
    Osolodkin, Dmitry I.
    Ishmukhametov, Aydar A.
    MOLECULAR INFORMATICS, 2024, 43 (08)
  • [24] Allosteric inhibitors of the main protease of SARS-CoV-2
    Samrat, Subodh Kumar
    Xu, Jimin
    Xie, Xuping
    Gianti, Eleonora
    Chen, Haiying
    Zou, Jing
    Pattis, Jason G.
    Elokely, Khaled
    Lee, Hyun
    Li, Zhong
    Klein, Michael L.
    Shi, Pei-Yong
    Zhou, Jia
    Li, Hongmin
    ANTIVIRAL RESEARCH, 2022, 205
  • [25] Novel piperazine based compounds as potential inhibitors for SARS-CoV-2 Protease Enzyme: Synthesis and molecular docking study
    Omar, Alaa Z.
    Mosa, Tawfik M.
    El-Sadany, Samer K.
    Hamed, Ezzat A.
    El-Atawy, Mohamed
    JOURNAL OF MOLECULAR STRUCTURE, 2021, 1245 (1245)
  • [26] Developing inhibitors of the SARS-CoV-2 main protease
    Seitz, Christian
    Markota, Vedran
    Sztain-Pedone, Terra
    Esler, Morgan
    Moghadasi, Arad
    Kennelly, Samantha
    Demir, Ozlem
    Aihara, Hideki
    Harki, Daniel A.
    Harris, Reuben
    McCammon, J. Andrew
    Amaro, Rommie E.
    BIOPHYSICAL JOURNAL, 2022, 121 (03) : 192A - 192A
  • [27] On the origins of SARS-CoV-2 main protease inhibitors
    Janin, Yves L.
    RSC MEDICINAL CHEMISTRY, 2024, 15 (01): : 81 - 118
  • [28] Peptidomimetic inhibitors of SARS-COV-2 main protease
    Angeles Bonache, Ma.
    Algar, Sergio
    Medina, Jessy
    Diaz-Agustin, Aitor
    Bueno, Paula
    Castro, Victoria
    Fabrega, Montserrat
    Coll, Miquel
    Garaigorta, Urtzi
    Gastaminza, Pablo
    Martin Martinez, Mercedes
    Gonzalez-Muniz, Rosario
    JOURNAL OF PEPTIDE SCIENCE, 2024, 30
  • [29] Perspectives on SARS-CoV-2 Main Protease Inhibitors
    Gao, Kaifu
    Wang, Rui
    Chen, Jiahui
    Tepe, Jetze J.
    Huang, Faqing
    Wei, Guo-Wei
    JOURNAL OF MEDICINAL CHEMISTRY, 2021, 64 (23) : 16922 - 16955
  • [30] Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations
    Masand, Vijay H.
    Sk, Md Fulbabu
    Kar, Parimal
    Rastija, Vesna
    Zaki, Magdi E. A.
    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2021, 217
12345