Computer-aided Drug Design Method for Anti-hepatitis C Drug Design

Year : 2024 | Volume : 14 | Issue : 02 | Page : 1 8
    By

    Mohd Wasiullah,

  • Piyush Yadav,

  • Tabish Ansari,

  • Satish Kumar Yadav,

  • GrijeshYadav,

  1. Principal, Department of Pharmacy, Prasad Institute of Technology, Jaunpur, Uttar Pradesh, India
  2. Academic Head, Department of Pharmacy, Prasad Institute of Technology, Jaunpur, Uttar Pradesh, India
  3. Research Scholar, Department of Pharmacy, Prasad Institute of Technology, Jaunpur, Uttar Pradesh, India
  4. Associate professor, Department of Pharmacy, Prasad Institute of Technology, Jaunpur, Uttar Pradesh, India
  5. Associate professor, Department of Pharmacy, Prasad Institute of Technology, Jaunpur,, Uttar Pradesh, India

Abstract

Hepatitis C is a disease caused by the hepatitis C virus and can cause serious liver damage. There is currently no vaccine for this disease and the number of infections continues to increase worldwide. Currently used antiviral drugs are interferon alfa-2a and ribavirin, but about half of patients do not respond to therapy. Therefore, new drugs that protect against hepatitis C need to be investigated. Computational drug methods have been instrumental in finding drug candidates. This review is devoted to the role of computational drug development methods in the development of new hepatitis C drugs Additionally, we propose a QSAR model as a binding method to simulate in vivo anti-hepatitis C activity and use homology modeling and ab initio modeling to generate protein 3D structure conformations as identification of pockets in proteins. Pocket druggable ligands were developed using novel drug design method. Designing effective ligands requires considering the geometry of the target protein’s pocket. Recent advancements have led to the development of new drugs tailored specifically for each Hepatitis C Virus (HCV) protein. By meticulously matching the ligand structure to the protein pocket’s unique shape, these drugs promise enhanced specificity and efficacy in combating HCV.

Keywords: Anti-HCV agents, QSAR, 3D-QSAR, structure-based drug design, linear discriminant analysis, fragments

[This article belongs to Research & Reviews : A Journal of Immunology ]

How to cite this article:
Mohd Wasiullah, Piyush Yadav, Tabish Ansari, Satish Kumar Yadav, GrijeshYadav. Computer-aided Drug Design Method for Anti-hepatitis C Drug Design. Research & Reviews : A Journal of Immunology. 2024; 14(02):1-8.
How to cite this URL:
Mohd Wasiullah, Piyush Yadav, Tabish Ansari, Satish Kumar Yadav, GrijeshYadav. Computer-aided Drug Design Method for Anti-hepatitis C Drug Design. Research & Reviews : A Journal of Immunology. 2024; 14(02):1-8. Available from: https://journals.stmjournals.com/rrjoi/article=2024/view=155692


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Regular Issue Subscription Review Article
Volume 14
Issue 02
Received 14/05/2024
Accepted 18/05/2024
Published 09/07/2024
467

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