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

被引:6
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
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
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