Acta Scientific Microbiology (ASMI) (ISSN: 2581-3226)

Research Article Volume 3 Issue 6

Computational Docking Studies of Non-Structural Protein 2 Protease of Chikungunya with Phytochemicals

Danish I Jasnaik* and Basilin Benson

D Y Patil University, School of Biotechnology and Bioinformatics, CBD Belapur, Navi Mumbai, India

*Corresponding Author: Danish I Jasnaik, D Y Patil University, School of Biotechnology and Bioinformatics, CBD Belapur, Navi Mumbai, India.

Received: April 20, 2020; Published: May 18, 2020

×

Abstract

  Chikungunya virus (CHIKV) is a deadly Arbovirus that is transmitted to humans by the mosquito species Aedes aegypti. Infection is often associated with fever, headache, muscle pain, joint swelling, or rash. In the present study, the identification of selective inhibitors against Chikungunya virus is reported. The compounds considered were found to be inhibitors of DENGUE virus. The compounds were screened and their inhibitory activity was investigated using in-silico molecular docking study. Overall a total of 13 compounds were studied using molecular docking approach. The in-silico study of such selective inhibitors will contribute to a better understanding of the CHIKV replication cycle and also represent a step towards the development of a clinical candidate drug for the treatment of this disease.

Keywords: CHIKV; Molecular Docking; Phytochemicals

×

References

  1. Adel Rashad., et al. “Chikungunya virus: emerging targets and new opportunities for medicinal chemistry”. Journal of Medicinal Chemistry 4 (2014): 1147-1166.
  2. De Lamballerie X., et al. “On chikungunya acute infection and chloroquine 329 treatment”. Vector-Borne and Zoonotic Diseases 6 (2008): 837-839.
  3. Strauss JH and Strauss EG. “The alphaviruses: gene expression, replication, and 372 evolution”. Microbiology Reviews 3 (1994): 491-562.
  4. Trott O and Olson AJ. “AutoDockVina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading”. Journal of Computational Chemistry 2 (2010): 455-461.
  5. Helen M Berman., et al. “The Protein Data Bank”. Nucleic Acid Research1 (2000): 235-242.
  6. Guex N and Peitsch MC. “SWISS-MODEL and the Swiss-PdbViewer: An environment for comparative protein modeling”. Electrophoresis 15 (1997): 2714-2723.
  7. Dundas J., et al. “CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues”. Nucleic Acid Research 34 (2006): W116-W118.
  8. Bolton E., et al. “PubChem: Integrated Platform of Small Molecules and Biological Activities”. Chapter 12 IN Annual Reports in Computational Chemistry 4 American Chemical Society, Washington, DC (2008): 217-241.
  9. Asthma Weed Tea (infusio Euphorbia hirta) from Amazon Herbs®.
  10. , et al. “Inhibition of dengue NS2B-NS3 protease and viral replication in Vero cells by recombinant retrocyclin-1”. BMC Infectious Diseases 12 (2012): 314.
  11. Barbosa JD., et al. “Structure-activity relationships of eugenol derivatives against Aedes aegypti”. Pest Management Science 11 (2012): 1478-1483.
  12. Papaya Leaf Relief for Chikungunya Virus (2013).
  13. M Ramalingam., et al. “Docking Studies of HIV-1 Protease with Phytochemicals from Mappia foetida”. International Journal of Computer Applications4 (2012).
×

Citation

Citation: Danish I Jasnaik and Basilin Benson. “Computational Docking Studies of Non-Structural Protein 2 Protease of Chikungunya with Phytochemicals". Acta Scientific Microbiology 3.6 (2020): 80-85.




Metrics

Acceptance rate30%
Acceptance to publication20-30 days

Indexed In






News and Events


  • Certification for Review
    Acta Scientific certifies the Editors/reviewers for their review done towards the assigned articles of the respective journals.
  • Submission Timeline for Upcoming Issue
    The last date for submission of articles for regular Issues is December 25, 2024.
  • Publication Certificate
    Authors will be issued a "Publication Certificate" as a mark of appreciation for publishing their work.
  • Best Article of the Issue
    The Editors will elect one Best Article after each issue release. The authors of this article will be provided with a certificate of "Best Article of the Issue"

Contact US