Novel xylenyl-spaced bis-thiazoles/thiazines: synthesis, biological profile as herpes simplex virus type 1 inhibitors and in silico simulations

• Published in: Future medicinal chemistry 2024-01, Vol.16 (1), p.27-41
• Main Authors: Kassab, Refaie M, Al-Hussain, Sami A, Abdelmonsef, Aboubakr H, Zaki, Magdi Ea, Gomha, Sobhi M, Muhammad, Zeinab A
• Format: Article
• Language: English
• ISSN: 1756-8919; 1756-8927
• DOI: 10.4155/fmc-2023-0210

Development of some potent bis-thiazole and bis-thiazine derivatives that could be used as antiviral prototypes. Xylenyl-spaced bis-carbazone scaffold was used as a versatile building block for bis-thiazole derivatives and and bis-thiazine derivatives . These bis-heterocycles were screened as herpes simplex virus type 1 (HSV-1) inhibitors. The new bis-heterocyclic compounds showed remarkable antiviral activity (e.g., compound cytotoxicity concentration CC >500 μg/ml). The antiviral capacity of the synthesized bis-compounds was supported by a molecular docking study against the glycoprotein D receptor of HSV-1. Compounds , , and displayed the best binding coefficients. A new series of xylenyl-spaced bis-carbazone scaffolds were used as a building scaffold to construct a host of bis-thiazole/thiazine derivatives that could be used as antiviral prototypes.