International Journal For Multidisciplinary Research

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A Comparative Review on Molecular Docking Studies of Monkey Pox Virus using Various Ligands

Author(s) D.Srinithi, G.Sathiyavani, R.Srimathi, M.Mahavishnu, M.Mathanika, K. M. Ragul kamalan, S. Pragadeshwarar, S. Malini, G. Maya Kannan, T. K. Meganathaan, M. Surendra Kumar, S. Rajaram
Country India
Abstract The monkeypox virus (MPXV) has resurfaced as a serious public health threat, requiring the rapid development of efficient treatments. Molecular docking has been an essential method for finding possible MPXV inhibitors. The objective of this review is to conduct a thorough analysis and comparison of molecular docking experiments against MPXV proteins using different ligands. We examined the binding affinities, interactions, and structural requirements of 15 ligands in 15 docking studies. Based on our investigation, it was shown that the ligand had encouraging inhibitory potential against the MPXV protein. In addition, we found that critical residues and chemical connections that are essential for efficient ligand binding. We do a detailed examination of the results obtained from these studies, including the molecular interactions, binding affinities, and structural insights obtained from docking simulations.
Keywords Monkeypox virus, Molecular docking, Monkey pox virus protein, ligand-based design, structure-based design, antiviral therapeutics.
Field Medical / Pharmacy
Published In Volume 7, Issue 1, January-February 2025
Published On 2025-02-11
Cite This A Comparative Review on Molecular Docking Studies of Monkey Pox Virus using Various Ligands - D.Srinithi, G.Sathiyavani, R.Srimathi, M.Mahavishnu, M.Mathanika, K. M. Ragul kamalan, S. Pragadeshwarar, S. Malini, G. Maya Kannan, T. K. Meganathaan, M. Surendra Kumar, S. Rajaram - IJFMR Volume 7, Issue 1, January-February 2025. DOI 10.36948/ijfmr.2025.v07i01.34821
DOI https://doi.org/10.36948/ijfmr.2025.v07i01.34821
Short DOI https://doi.org/g84z6x
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