Sustainable Remediation Using Hydrocarbonoclastic Bacteria for Diesel-Range Hydrocarbon Contamination in Soil: Experimental and In Silico Evaluation

The increasing global oil consumption has led to significant soil contamination by hydrocarbons, notably diesel-range hydrocarbons. Soil bioremediation through bacterial bioaugmentation is an alternative to increase the degradation of organic pollutants such as petroleum products. Bioremediation is a sustainable practice that contributes to the Sustainable Development Goals (SDGs) because it is environmentally friendly, reduces the impact of human activities, and avoids the use of invasive and destructive methods in soil restoration. This study examines the bioremediation potential of hydrocarbonoclastic bacteria isolated from soil close to areas with a risk of spills due to pipelines carrying hydrocarbons. Among the isolated strains, Arthrobacter globiformis , Pantoea agglomerans , and Nitratireductor soli exhibited hydrocarbonoclast activity, achieving diesel removal of up to 90% in short-chain alkanes and up to 60% in long-chain hydrocarbons. The results from in silico studies, which included molecular docking and molecular dynamics simulations, suggest that the diesel removal activity can be explained by the bioavailability of the linear alkanes and their affinity for alkane monooxygenase AlkB present in the studied microorganisms, since long-chain hydrocarbons had lower enzyme affinity and lower aqueous solubility. The correlation of the experimental results with the computational analysis allows for greater insight into the processes involved in the microbial degradation of hydrocarbons with varying chain lengths. Furthermore, this methodology establishes a cost-effective approximation tool for the evaluation of the feasibility of using different microorganisms in bioremediation processes.