title: In silico bioremediation of polycyclic aromatic hydrocarbon: a frontier in environmental chemistry.
abstract: In recent years, the number of studies in the field of bioremediation has been growing steadily. Although a large number of studies provide information that is highly detailed and offer great amounts of knowledge on a given subject, the downside is that the hunt for more information requires the combined efforts of researchers from many areas, which are becoming increasingly difficult to attain. In this review, we present an overview of recent work investigating enzyme degradation of polycyclic aromatic hydrocarbons. In the first part, this review examines several of the new enzymes able to degrade pollutants, with special attention being given to those with a well-resolved structure. The second part explores some of the most recent work in which computational approaches, such as molecular dynamics, docking, density functional theory and database retrieval, have been employed to study enzymes with specific bioremediation activities.
authors.affiliation: Dipartimento di Scienze Chimiche, Università di Catania, Viale A.Doria 6, 95125 Catania, Italy. vlibrando@unict.it
authors.forename: Vito
authors.initials: V
authors.lastname: Librando
authors.forename: Matteo
authors.initials: M
authors.lastname: Pappalardo
mesh_terms: D055162:Biocatalysis; D003198:Computer Simulation; D004785:Environmental Pollutants / Q000737:chemistry / Q000378:metabolism; D052918:Environmental Restoration and Remediation; D004798:Enzymes / Q000737:chemistry / Q000378:metabolism; D008962:Models, Theoretical; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry* / Q000378:metabolism
chemical_list: D004785:Environmental Pollutants; D004798:Enzymes; D011084:Polycyclic Aromatic Hydrocarbons
keywords: Bioremediation; Environmental chemistry; Enzyme; In silico; PAH