In Silico Identification of Therapeutic agents for Dengue Virus by Molecular docking

Year : 2026 | Volume : 13 | 02 | Page :
    By

    Peri Shyamalambica,

  • Adithya Nukala,

  1. Project Scientst, Department of Marine Living Resources, Andhra University, Visakhapatnam, Andhra Pradesh, India
  2. Assistant Professor, CSE Department, COER University, Roorkee, Uttarakhand, India

Abstract

The dengue virus causes serious health issues and a loss of quality of life. Dengue poses a yearly threat to half of the world’s population. The drugs that are based on allopathy are expensive and also exhibit toxic effects on tissues and biological activities. It is also generally accepted that most pharmacologically active drugs, including those derived from medicinal plants, are isolated from natural sources. The present study is directed towards identifying an inhibitor of the non-structural protein (dengue virus type 2 genome polyprotein), as no medicines for treating these arboviruses exhibit antiviral activity. To forecast potential high-affinity, selective binders, the biological target’s structure was selected. The ProtParam determines the protein’s main characteristics. The homology modelling tool MODELER is used to build the non-structural protein’s three-dimensional structure using several existing non-structural protein structures as templates. After that, the structure is thoroughly optimized and verified using PROCHECK and VERIFY3D. The receptor’s molecular binding active sites were examined using the CASTp Server. The Non-structural Protein’s expected structure will serve as a basis for the development of potent inhibitors that may one day be used as natural therapeutics.

Keywords: Dengue Virus, Non-structural protein 2, Homology modeling, ligand, Protein Ligand Interaction profiler

How to cite this article:
Peri Shyamalambica, Adithya Nukala. In Silico Identification of Therapeutic agents for Dengue Virus by Molecular docking. Research & Reviews: A Journal of Drug Design & Discovery. 2026; 13(02):-.
How to cite this URL:
Peri Shyamalambica, Adithya Nukala. In Silico Identification of Therapeutic agents for Dengue Virus by Molecular docking. Research & Reviews: A Journal of Drug Design & Discovery. 2026; 13(02):-. Available from: https://journals.stmjournals.com/rrjoddd/article=2026/view=239731


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Ahead of Print Subscription Original Research
Volume 13
02
Received 31/01/2026
Accepted 17/03/2026
Published 04/04/2026
Publication Time 63 Days
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