Elucidating the enzymatic efficacy of Streptomyces malaysiensis oxygenase in degrading antibiotic residues degradation pathways for reducing environmental pollution

Various bacterial strains have been extensively studied for its enzymatic capabilities in biodegradation of various residues to reduce the risk of environmental pollution. Streptomyces malaysiensis, a bacterium known for its enzymatic capabilities, particularly the oxygenase enzyme, is explored for its potential in bioremediation processes. The aim of this study was to evaluate the enzymatic efficacy of Streptomyces malaysiensis oxygenase in degrading antibiotic residues, addressing a significant concern in environmental pollution. The objective was to understand the binding affinity of oxygenase with specific tetracycline antibiotic residues and its suitability for environmental cleanup. Through a multi-step approach, the amino acid sequence of the oxygenase enzyme was retrieved, and its physicochemical properties were analyzed, and it shows the 37.52 instability index and GRAVY −0.201. Homology modeling provided insights into the tertiary structure of the enzyme, while protein subcellular localization predictions aided in understanding its intracellular distribution. Virtual screening of tetracycline compounds using CB-Dock2 revealed strong binding affinities of the oxygenase enzyme with several tetracycline compounds, including oleandomycin, rolitetracycline, and sulfamethazine. Oxygenase shows the highest binding affinity with Oleandomycin that is −10 kcal/mol. Active site predictions and interaction analyses highlighted key residues involved in enzyme-substrate interactions. Molecular dynamics simulations using Desmond software indicated stable enzyme-ligand complexes over time, emphasizing the potential of oxygenase for sustained enzymatic activity. The study underscores Streptomyces malaysiensis oxygenase as a promising candidate for bioremediation efforts targeting antibiotic residues in environmental pollutants, offering a potential solution to mitigate antibiotic-related pollution effectively. Further research in this area could lead to the development of enhanced bioremediation strategies, contributing to environmental sustainability and public health protection.