Computer-directed rational engineering of dioxygenase TcsAB for triclosan biodegradation under cold conditions

Applied and Environmental Microbiology, Journal Year: 2025, Volume and Issue: unknown

Published: March 5, 2025

The dioxygenase TcsAB is a specific involved in the initial biodegradation of broad-spectrum antibacterial agent triclosan (TCS). However, it exhibits significantly reduced activity under cold conditions. In this study, computer-directed approach combining loop engineering and N-terminal truncation was utilized to decrease thermostability TcsAB, thereby enhancing its catalytic environments. iterative mutant (TcsAY277P/F279P/S311W/A313WTcsBN-terminal truncation) exhibited 2.54-fold greater efficiency than wild type at 15°C. Molecular dynamics simulations showed that mutations introduced substrate-binding pocket increased flexibility, leading enhanced through binding more advantageous conformation. This modified employed as biological component, Pseudomonas knackmussii B13 used chassis cell construct an engineered strain for efficient degradation TCS low temperatures. objective enhance capacity bioremediation natural Insights gained from study may inform rational redesign enzymes related robustness emerging contaminants.IMPORTANCEThe presence surface water wastewater poses significant risk aquatic organisms human health due high resistance degradation. pollution environment metabolic processes microorganisms represents effective remediation strategy. only enzyme has been identified responsible TCS. Nevertheless, markedly diminished actual ambient temperature frequently lower optimum reaction, maintaining 30°C reaction condition results costs energy consumption removal. Accordingly, low-temperature will facilitate realistic removal aqueous environment.

Language: Английский

Rational Design of CYP120A1 Variants and Eco-friendly Alternatives for Enhanced Bioremediation of Sulfonamide Antibiotics

Journal of Hazardous Materials Letters, Journal Year: 2025, Volume and Issue: unknown, P. 100151 - 100151

Published: March 1, 2025

Language: Английский