ABSTRACT
This work intends to determine the most powerful innovative lead medicine for the treatment of Toxoplasmosis by exploring possible interactions between the Toxoplasmosis associated DHFR protein and ligands using computational techniques.Using Uniprot, we discovered information about Toxoplasma gondii's effect on the protein enolase.PyRx was used as our docking tool to determine the binding affinities of different ligands with the target protein.A list of ligands was gathered from PubChem to assess the stability of targets in relation to one another.Molecular docking was done in AutoDock VINA using PyRx and then analyzed in LigPlotAs a result, it was discovered that mebendazole could serve as a ligand for the DHFR Protein.Thus, we examined the binding affinities of the various ligands against the DHFR protein using PyRx.To identify the ideal compound among a group of ligands, we used the binding energy as a critical parameter. Mebendazole, the best lead compound, has been found to be helpful and beneficial in lowering the infection of Toxoplasmosis.Further ADMET properties were investigated, and the proposed ligand met the Lipinski rule.
