Abstract
Many aromatic hydrocarbons and catechols are known as toxic and carcinogenic to humans, and their contamination of soils and aquifers is considered as the major environmental concern. Bioremediation is recognized as an efficient strategy to neutralize the negative impact caused by hydrocarbons. Hence the present study designed to isolate indigenous hydrocarbon degrading bacteria and perform comparative molecular docking studies on its beneficial mutant strain to ensure absolute bioremediation of hydrocarbons in the meantime. There were four hydrocarbon degrading bacteria isolated such as Bacillus sp., Pseudomonas sp., Staphylococcus sp., and Staphylococcus sp., where Pseudomonas sp. shown the maximum cell density when allowed to grow in the enrichment media containing petrol oil. The degradation potential of Pseudomonas sp. was tried to increase by inducing mutation through UV irradiation. The mutant percentage was identified by using UGene software and the isolate was then identified by 16S rRNA sequencing. BLAST analysis of the sequence showed 99% similarity with Pseudomonas aeruginosa. The mutant Pseudomonas aeruginosa has been further subjected for optimization of various parameters to identify the optimal conditions for maximum enzyme production in order to ensure better degradation of hydrocarbons. Consequently, comparative molecular docking studies were carried out that clearly indicates the finest receptor–ligand interaction. The binding affinity studies show that the mutant P. Aeruginosa possess a binding energy of -3.56 kcal/mol, which was higher than the binding energy of -8.72 kcal/mol was obtained for the wild P. aeruginosa. However, the present study demonstrated that the mutant P. Aeruginosa was competent for effective hydrocarbon degradation, since the exploration of the identified mutant would assure complete remediation of toxic hydrocarbons in an eco–friendly manner.