Synthesis and molecular docking studies of some new thiosemicarbazone derivatives as HCV polymeraseinhibitors

Abstract

Series of new thiosemicarbazones was prepared and molecular studied as inhibitors of HCV 4WTG polymerase. Thus, the thiosemicarbazone derivatives (3a–k) were synthesized by two different ways, from reacting thiosemicarbazides with aldehydes and by one-pot three component reaction using ZnCl₂/SiO₂ as a catalyst under solvent free conditions. Molecular docking analysis of the synthesized products predicted that the thiosemicarbazone derivatives 3c, 3g, and 3k were the most promised as a highly inhibitors for HCV 4WTG polymerase in comparison with Sofosbuvir drug.

Graphical Abstract

KEYWORDS:

• Thiosemicarbazones
• HCV
• molecular docking
• ZnCl₂/SiO₂

Additional information

Funding

This work was supported by Science and Technology Development Fund (STDF), Egypt under project number (14993).