The study’s objective is to discover innovative antiviral medications that prevent phosphoprotein when SwissDock software is used to analyze viral infections with the greatest fatality rates, such as Rabies. The clincalc.com was used to calculate sample sizes G power was set at 80%. In this investigation, 10 various drugs (N=10) in total, along with a reference drug, were chosen to determine each drug’s ability to bind to and inhibit the viral protein. A reference drug was used to compare results. Three-dimensional structures of ten antiviral drugs were found in the Protein Data Bank (PDB) chemical database, along with the three-dimensional structure of phosphoprotein. SwissDock was used to perform molecular docking of antiviral drugs with phosphoprotein. The software algorithm generates outputs by leveraging the similar shapes of biomolecules. SwissDock analysis indicates that 10 novel antiviral drugs bind with the phosphoprotein. Among these drugs, the novel antiviral drug Zanamivir exhibited a p-value of p=0.001 (p<0.05) in an independent sample t-test. This suggests that the full fitness data demonstrated a statistically significant difference between Zanamivir and the reference drug. It was found that the tested medicine Zanamivir interacted more strongly with the viral phosphoprotein; as a result, it was determined that this medication may effectively reduce the phosphoprotein and be used to treat rabies virus infections.
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30 August 2024
PROCEEDINGS OF 5TH INTERNATIONAL CONFERENCE ON SUSTAINABLE INNOVATION IN ENGINEERING AND TECHNOLOGY 2023
16 August 2023
Kuala Lumpur, Malaysia
Research Article|
August 30 2024
Molecular docking of phosphoprotein with antiviral drugs using SwissDock software for rabies viral treatment Available to Purchase
M. L. Akshara;
M. L. Akshara
a)
1
Department of Biomedical Engineering, Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences, Saveetha University
, Chennai, Tamil Nadu, India
. Pin code:602105
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R. Jayakumar;
R. Jayakumar
b)
1
Department of Biomedical Engineering, Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences, Saveetha University
, Chennai, Tamil Nadu, India
. Pin code:602105
Search for other works by this author on:
V. Thiruchelvam
V. Thiruchelvam
c)
2
School of Engineering, Asian Pacific University of Technology and Innovation
, 57000, Kuala Lumpur, Malaysia
c)Corresponding Author: [email protected]
Search for other works by this author on:
M. L. Akshara
1,a)
R. Jayakumar
1,b)
V. Thiruchelvam
2,c)
1
Department of Biomedical Engineering, Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences, Saveetha University
, Chennai, Tamil Nadu, India
. Pin code:602105
2
School of Engineering, Asian Pacific University of Technology and Innovation
, 57000, Kuala Lumpur, Malaysia
AIP Conf. Proc. 3161, 020291 (2024)
Citation
M. L. Akshara, R. Jayakumar, V. Thiruchelvam; Molecular docking of phosphoprotein with antiviral drugs using SwissDock software for rabies viral treatment. AIP Conf. Proc. 30 August 2024; 3161 (1): 020291. https://doi.org/10.1063/5.0229329
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