Using Multitarget Molecular Docking to Examine the Antiviral Potential of Clerodendrum Phlomidis against Measles

Year : 2024 | Volume :01 | Issue : 02 | Page : 32-42
By

Sampriya Raj

Samiksha Bhor

  1. Student Department of Biotechnology, NMAM Institute of Technology, Nitte Karnataka India
  2. Bioinformatics Associate Department of Bioinformatics, Bionome, Bengaluru Karnataka India

Abstract

Objective: Measles, a viral disease caused by a member of the Paramyxoviridae virus family, is highly contagious and characterized by a respiratory illness and a maculopapular rash on the skin. Children are the main victims of the illness. In the context of drug development, this study investigates the efficacy of phytocompounds derived from Clerodendrum phlomidis against the target protein of the measles virus. Methods: The 7SKS protein was retrieved from the Protein Data Bank (PDB) database. Molecular docking studies were conducted systematically using PyRx and BIOVIA Discovery Studio Visualizer to assess the binding affinities of phytocompounds to the target protein. To evaluate the pharmacological properties of the phytocompounds, Swiss-ADME and ADMET lab were employed. Results: The docking results indicate that among the phytocompounds tested, Pectolinarin, beta-sitosterol, Clerodendrin A, Clerodin, Clerosterol, Daucosterol, Scutellarein, and Sterol exhibited the highest binding affinities to the target protein. However, based on the ADMET profile and drug-likeness prediction analysis, Clerodin and Scutellarein were found to have drug-like properties among the eight compounds evaluated. Conclusions: The results of this study indicate that Clerodin and Scutellarein possess specific binding affinity and therefore may be effective against the matrix protein. As such, these phytocompounds hold potential for use in therapeutic strategies against measles disease

Keywords: Paramyxoviridae, Measles disease, 7SKS protein, Clerodendrum phlomidis, phytocompounds, Molecular docking, ADME.

[This article belongs to International Journal of Molecular Biotechnological Research(ijmbr)]

How to cite this article: Sampriya Raj, Samiksha Bhor. Using Multitarget Molecular Docking to Examine the Antiviral Potential of Clerodendrum Phlomidis against Measles. International Journal of Molecular Biotechnological Research. 2023; 01(02):32-42.
How to cite this URL: Sampriya Raj, Samiksha Bhor. Using Multitarget Molecular Docking to Examine the Antiviral Potential of Clerodendrum Phlomidis against Measles. International Journal of Molecular Biotechnological Research. 2023; 01(02):32-42. Available from: https://journals.stmjournals.com/ijmbr/article=2023/view=149183





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Regular Issue Subscription Original Research
Volume 01
Issue 02
Received May 9, 2023
Accepted September 25, 2023
Published October 25, 2023