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
DOI	https://doi.org/10.36948/ijfmr.2025.v07i01.34821
Short DOI	https://doi.org/g84z6x

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