Welcome to the InfoSci Platform
Computational Approaches for the Discovery of Novel Hepatitis C Virus NS3/4A and NS5B Inhibitors

Computational Approaches for the Discovery of Novel Hepatitis C Virus NS3/4A and NS5B Inhibitors

Khac-Minh Thai, Quoc-Hiep Dong, Thi-Thanh-Lan Nguyen, Duy-Phong Le, Minh-Tri Le, Thanh-Dao Tran
Copyright: © 2015 |Pages: 36
ISBN13: 9781466681361|ISBN10: 1466681365|EISBN13: 9781466681378
DOI: 10.4018/978-1-4666-8136-1.ch009
Cite Chapter Cite Chapter

MLA

Thai, Khac-Minh, et al. "Computational Approaches for the Discovery of Novel Hepatitis C Virus NS3/4A and NS5B Inhibitors." Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment, edited by Kunal Roy, IGI Global, 2015, pp. 318-353. https://doi.org/10.4018/978-1-4666-8136-1.ch009

APA

Thai, K., Dong, Q., Nguyen, T., Le, D., Le, M., & Tran, T. (2015). Computational Approaches for the Discovery of Novel Hepatitis C Virus NS3/4A and NS5B Inhibitors. In K. Roy (Ed.), Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment (pp. 318-353). IGI Global. https://doi.org/10.4018/978-1-4666-8136-1.ch009

Chicago

Thai, Khac-Minh, et al. "Computational Approaches for the Discovery of Novel Hepatitis C Virus NS3/4A and NS5B Inhibitors." In Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment, edited by Kunal Roy, 318-353. Hershey, PA: IGI Global, 2015. https://doi.org/10.4018/978-1-4666-8136-1.ch009

Export Reference

Mendeley
Favorite

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.

Request Access

You do not own this content. Please login to recommend this title to your institution's librarian or purchase it from the IGI Global bookstore.