In silico docking studies on the aromatic hydrocarbon degradation protein (AHDP) of Citrobacter freundii for the degradation of hydrocarbons

Crude oil spills and pollutants containing mixtures of components with varying volatility and solubility pose a significant hazard to the environment. Conventional physical and chemical methods for pollutant removal are often ineffective, unsafe and not cost-efficient. In this study, the biodegradation potential of crude oil using microbial intervention was evaluated, focusing on the aromatic hydrocarbon degradation protein (AHDP) of Citrobacter freundii. The efficiency of this bacterial protein in degrading crude oil was analyzed through molecular docking studies involving F6H10 hydrocarbon and Methanol-NaOH, using various in silico tools and databases. The molecular interaction analysis revealed that the AHDP protein has a strong affinity toward F6H10 hydrocarbon, indicated by a docking score of 4556, suggesting its potential role in effective biodegradation.