Molecular Docking Studies: Hepatitis C Viral-RNA-Dependent RNA Polymerase (RdRp) Inhibitory Activity of Siddha Herbal Formulation Sittramutti khirutham (SK)
1, 2, 3, 1
- 1Department of Siddhar Yoga Maruthuvam, Government Siddha Medical College, Chennai, Tamil Nadu, INDIA.
- 2Department of Gunapadam, National Institute Siddha, Chennai, Tamil Nadu, INDIA.
- 3Department of Nanju Maruthuvam, National Institute Siddha, Chennai, Tamil Nadu, INDIA.
CORRESPONDENCE
Dr. Medini Elanchezhian
PG Scholar, Department of Siddhar Yoga Maruthuvam, Government Siddha Medical College, Chennai-600106, Tamil Nadu, INDIA.
Received: 07-02-2025; Revised: 14-03-2025; Accepted: 24-06-2025.
Volume 14, Issue 2 · pp. 426-433 · 2025 · DOI: 10.5530/ajbls.20251508
ABSTRACT
Background: Molecular docking has great potential in Siddha medicine, especially in herbal formulations where one can better understand the basic biochemical processes that the formulation addresses by understanding the molecular interactions between the formulation’s lead molecules and receptors.Aim and Objectives: Molecular docking investigations of Siddha herbal formulation Sittramutti khirutham and screening the lead component interaction on the Hepatitis C virus-RNA-Dependent RNA Polymerase (RdRP).Materials and Methods: Essential hydrogen atoms, Kollman united atom type charges, and solvation parameters were added with Autodock tools (Morris, Goodsell, et al., 1998). Docking simulations were performed using the Lamarckian Genetic Algorithm (LGA) and the Solis and Wets local search method. The initial position, orientation, and torsions of the ligand molecules were set randomly. All rotatable torsions were released during docking. Results and Conclusion: The compounds present in SK like Curcumin, Maslinic acid, Arjungenin, Andrograpanin, Andrographolide, and Epiafzelechin reveal a maximum of 2-3 interactions with the core active amino acid residues present on the target protein enzyme Hepatitis C viral -polymerase (RdRp). Hence, these compounds of the test drug possess promising Hepatitis C viral-RNA-dependent RNA Polymerase (RdRp) inhibition activity. For prospective pharmacological validation of SK, the docking studies were an important step for its scientific justification.
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Elanchezhian, M., Ramasamy, S., Balasubramani, A., & Chidambaram, L. (2025). Molecular Docking Studies: Hepatitis C Viral-RNA-Dependent RNA Polymerase (RdRp) Inhibitory Activity of Siddha Herbal Formulation Sittramutti khirutham (SK). Asian Journal of Biological and Life Sciences, 14(2), 426-433. https://doi.org/10.5530/ajbls.20251508
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