Laccase is an enzyme that acts as a biological catalyst and accelerates the process of lignin oxidation in aromatic compounds as well as those analogous to such structures. Laccase performs the degradation of complex lignin structures with low substrate specificity, and therefore, multiple ligands may act as binders to the laccase. Moreover, laccase obtained from the Ganoderma weberianum underlines the most efficient agent for directing the biodegradation of pernicious compounds like antibiotics, dyes, and chemical residue from pharmaceutical industries to effectuate wastewater treatment. Consequently, this work proposes to utilize advanced technology such as Molecular Docking Simulation (MDS) with diverse ligands to analyze the biodegradation of toxic substances and eradicate them from the environment. The application of MDS is methodical and systematic because it assists in speculating the potential associations of ligand (multiple substrates) with protein (laccase). Furthermore, MDS is an innovative technique to create authentic and logical models of new ligands to introduce them as possible drugs. Succinctly, the core of this project demonstrates the association of five divergent ligands namely benzidine, sulfisoxazole, tetracycline, 2, 4-dichlorophenol, and trimethoprim (that affects our environment) with laccase obtained from Ganoderma weberianum through MDS to decipher 3D ligand-protein interactions and examine their potential binding sites. The study will help in the degradation of fatal contaminants from the industrial waste water. Thus, paving the way for wastewater treatment efficiently.

Theoretical study on binding interactions of laccase-enzyme from <i>Ganoderma weberianum</i> with multiples ligand substrates employing the Molecular Docking Simulation (MDS) technique to enhance wastewater treatment

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Theoretical study on binding interactions of laccase-enzyme from Ganoderma weberianum with multiples ligand substrates employing the Molecular Docking Simulation (MDS) technique to enhance wastewater treatment