Identification of New Dioxygenases Able to Recognize Polycyclic Aromatic Hydrocarbons with High Aromaticity

Polycyclic aromatic hydrocarbons (PAHs), products from the incomplete combustion of crude oil, are pollutants present in nature. Ring hydroxylating dioxygenase enzymes able to catalyze polycyclic biodegradation process with a high degree stereo-, regio-, and enantiospecificity. In this work, we first approximation binding modes 9 PAHs aromaticity catalytic sites biphenyl or naphthalene dioxygenases four microorganisms usually used bio-remediation processes: Sphingobium yanoikuyae, Rhodococcus jostii RHA1, Pseudomonas sp. C18, Paraburkholderia xenovorans. Molecular modeling studies two yanoikuyae xenovorans showed good affinity for 2–4 benzene rings (fluoranthene, pyrene, chrysene), both had similar amount substrate binding. docking using C18 that enzyme is accommodate (benzo(a)pyrene, indeno(1,2,3-cd)pyrene), scores. This study provides important insight into utility degradation HAPs aromaticity.