Identification of novel ligands for the Z-DNA binding protein by structure-based virtual screening.
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.
Kim
Yang-Gyun
YG
Department of Chemistry, Sungkyunkwan University, Suwon, Republic of Korea.
Thai
Khac-Minh
KM
Song
Jieun
J
Kim
Kyeong Kyu
KK
Park
Hyun-Ju
HJ
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
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