WITHDRAWN: Genome-Wide Identification and Characterization of Lipases from Ascomycetes, and Molecular Docking Analysis with Various Plastics

Abstract The widespread utilization and inadequate management of plastic products have contributed to a significant increase of microplastics (MPs) in natural environments. MPs persist in the environment and are resistant to degradation. However, certain microorganisms possess the ability to degrade them. This study focuses on the in silico identification and molecular docking analysis of different lipases found in various fungal species, specifically aiming to assess their catalytic potential for microplastic degradation. In addition to observing enzyme-substrate interactions at the active site, hydrophobic interactions, highest binding affinity and hydrogen bonds were also examined. A total of 71 lipases were identified from 13 fungal species on the basis of presence of the lipase 3 domain. Most of the proteins were predicted to be extracellularly localized. Based on the results of molecular dockings, in terms of binding affinities, polycarbonate (PC) was found to have the highest binding affinities with all the docked proteins which suggests that it is the most biodegradable plastic type. However, polyvinyl chloride (PVC) exhibited low binding energies with all the lipases indicating its resistance against degradation via fungal lipases. Key amino acids involved in binding interactions of PC were found to be glycine, alanine and valine. The binding interactions encompass hydrogen bonding, Van der Waals forces and Pi-interactions. These findings highlighted the potential of enzymes sourced from fungal species for microplastic degradation purposes. The role of lipase in the germination of A. oryzae was also predicted under soy sauce koji fermentation. It was found that 4 proteins were upregulated whereas 4 proteins were downregulated.