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Computational Approaches for the Discovery of Novel Hepatitis C Virus NS3/4A and NS5B Inhibitors
- Publication Year :
- 2017
- Publisher :
- IGI Global, 2017.
-
Abstract
- Nonstructural 5B (NS5B) polymerase and Nonstructural 3/4A (NS3/4A) protease have proven to be promising targets for the development of anti-HCV (Hepatitis C Virus) agents. The NS5B polymerase is of paramount importance in HCV viral replication; therefore, employing NS5B inhibitors was considered an effective way for the treatment of HCV. Identifying inhibitors against NS3/4A serine protease represents another attractive approach applied in anti-HCV drug discovery, which is evidenced by its crucial role of in the biogenesis of the viral replication activity. In this chapter, many different computational approaches including Quantitative Structure-Activity Relationship (QSAR) and virtual screening in anti-HCV drug discovery were considered and discussed in detail. Virtual Screening (VS) techniques, including ligand-based and structure-based, and QSAR have been utilized for the discovery of NS5B inhibitors. Moreover, using various in silico protocols and workflows, a number of studies have been conducted with an aim of identifying potential NS3/4A blockage agents.
- Subjects :
- 0301 basic medicine
Computer science
Hepatitis C virus
viruses
virus diseases
biochemical phenomena, metabolism, and nutrition
medicine.disease_cause
Virology
01 natural sciences
digestive system diseases
0104 chemical sciences
chemistry.chemical_compound
010404 medicinal & biomolecular chemistry
03 medical and health sciences
030104 developmental biology
chemistry
medicine
NS5B
Subjects
Details
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....bbd7eb39457e47f09639819415b9ff0d