In silico docking
studies on the aromatic hydrocarbon degradation protein (AHDP) of Citrobacter freundii
for the degradation of hydrocarbons
Kalaivani M., Selvakumar S. and Balu Prakash
Res. J. Biotech.; Vol. 20(10); 58-64;
doi: https://doi.org/10.25303/2010rjbt058064; (2025)
Abstract
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.
