title: C60-fullerene binds with the ATP binding domain of human DNA topoiosmerase II alpha.
abstract: C60-fullerene has promising biological applications, such as drug delivery, biosensors, diagnosis and theraupetics. Despite of these applications, several in vitro studies have also reported the DNA damaging potential of this nanomaterial. Though, very little is known about the mechanism involved behind the fullerene mediated DNA damage. Our study was aimed at identifying the binding site of fullerene in the ATP binding domain of human topoisomerase II alpha, a major enzyme involved in maintaining DNA topology. In silico studies of fullerene with the enzyme demonstrated that it can interact with the active site residues of this enzyme through hydrophobic, pi-stacking and van der Waals interactions and could inhibit the activity of this enzyme.
authors.affiliation: Nanomaterial Toxicology Group, Indian Institute of Toxicology Research (CSIR), P.O. Box 80, M. G. Marg, Lucknow 226001, India.
authors.forename: Lokesh
authors.initials: L
authors.lastname: Baweja
authors.forename: Deepak
authors.initials: D
authors.lastname: Gurbani
authors.forename: Rishi
authors.initials: R
authors.lastname: Shanker
authors.forename: Alok K
authors.initials: AK
authors.lastname: Pandey
authors.forename: V
authors.initials: V
authors.lastname: Subramanian
authors.forename: Alok
authors.initials: A
authors.lastname: Dhawan
mesh_terms: D000255:Adenosine Triphosphate / Q000737:chemistry*; D000951:Antigens, Neoplasm / Q000737:chemistry* / Q000648:ultrastructure; D001665:Binding Sites; D003198:Computer Simulation; D004250:DNA Topoisomerases, Type II / Q000737:chemistry* / Q000648:ultrastructure; D004268:DNA-Binding Proteins / Q000737:chemistry* / Q000648:ultrastructure; D004789:Enzyme Activation; D037741:Fullerenes / Q000737:chemistry*; D006801:Humans; D008956:Models, Chemical; D008958:Models, Molecular; D011485:Protein Binding; D017434:Protein Structure, Tertiary
chemical_list: D000951:Antigens, Neoplasm; D004268:DNA-Binding Proteins; D037741:Fullerenes; D000255:Adenosine Triphosphate; D004250:DNA Topoisomerases, Type II; C069837:fullerene C60