title: Identification of novel ligands for the Z-DNA binding protein by structure-based virtual screening.
abstract: We describe the first discovery of small molecules that bind to the Z-DNA binding domain of human ADAR1 (Adenosine Deaminase Acting on RNA 1) by structure-based virtual screening of chemical database. These molecules bind to Z-DNA binding domain to inhibit the interaction with the Z-DNA. Many viruses have Z-DNA binding proteins, which are structurally similar to Z-DNA binding domain of human ADAR1, and the ability of Z-DNA binding protein to bind the Z-DNA is essential for their pathogenicity. Therefore, the molecules identified in this study may serve as novel leads for the design of agents that inhibit biological functions of those pathogenic viruses.
authors.affiliation: Department of Chemistry, Sungkyunkwan University, Suwon, Republic of Korea.
authors.forename: Yang-Gyun
authors.initials: YG
authors.lastname: Kim
authors.forename: Khac-Minh
authors.initials: KM
authors.lastname: Thai
authors.forename: Jieun
authors.initials: J
authors.lastname: Song
authors.forename: Kyeong Kyu
authors.initials: KK
authors.lastname: Kim
authors.forename: Hyun-Ju
authors.initials: HJ
authors.lastname: Park
mesh_terms: D000243:Adenosine Deaminase / Q000737:chemistry / Q000378:metabolism*; D058892:Adenosine Deaminase Inhibitors; D018360:Crystallography, X-Ray; D043542:DNA, Z-Form / Q000037:antagonists & inhibitors / Q000737:chemistry / Q000378:metabolism*; D004268:DNA-Binding Proteins / Q000737:chemistry / Q000378:metabolism*; D004586:Electrophoresis; D006801:Humans; D008024:Ligands; D009690:Nucleic Acid Conformation; D011485:Protein Binding; D016601:RNA-Binding Proteins; D013997:Time Factors; D014764:Viral Proteins / Q000737:chemistry / Q000378:metabolism*; D014777:Virus Diseases / Q000175:diagnosis / Q000378:metabolism* / Q000821:virology
chemical_list: D058892:Adenosine Deaminase Inhibitors; D043542:DNA, Z-Form; D004268:DNA-Binding Proteins; D008024:Ligands; D016601:RNA-Binding Proteins; D014764:Viral Proteins; C567955:ADARB1 protein, human; D000243:Adenosine Deaminase