Design, Synthesis and Molecular Modeling Study of Some Thiazolidinone Derivatives as NS5B Polymerase inhibitors /
تصميم وتشييد ودراسة النمذجة الجزيئية لبعض مشتقات الثيازوليدينون كمثبطات لإنزيم البوليمريز
Esraa Zakaria Mohammed Ragab ; Supervised by Farghaly Abd-El Hamed Omar, Ghaneya Sayed Hassan, Hanan Hanna Georgey.
- Cairo : Cairo University, 2018.
- 182p. : ill. ; 26 cm. +CD.
Thesis (M.Sc.) – Cairo University. Faculty of Pharmacy. Department of Pharmaceutical Chemistry.
Includes bibliographical references.
) Hepatitis C virus (HCV) infection is a major global health challenge; it is estimated that more than 80 million people are chronically infected worldwide, 3–4 million new infections and 350 000 deaths occurring each year because of HCV-related complications. This thesis deals with the design and synthesis of some thiazolidinone derivatives to be evaluated as HCV-NS5B polymerase allosteric inhibitors. In addition, the anti-HCV activity was carried out for the new derivatives using a highly permissive subclone of the human hepatoma cell line Huh-7.5. Molecular docking studies were carried out to predict the possible binding mode of the newly synthesized compounds with HCV-NS5B polymerase to study their interaction with the enzyme key amino acids in a trial to explain their observed activity. Furthermore, key molecular characteristics were calculated to assess their drug-likeness potentia