Docking simulation with a purine nucleoside specific homology model of deoxycytidine kinase, a target enzyme for anticancer and antiviral therapy

Bioorganic and Medicinal Chemistry

Volumn 13, Issue 13, 2005, Pages 4160-4167

  Johnsamuel, Jayaseharan ^a   Eriksson, Staffan ^b   Oliveira, Marcos ^c   Tjarks, Werner ^a  

^a OHIO STATE UNIVERSITY   (United States)

^b SWEDISH UNIVERSITY OF AGRICULTURAL SCIENCES   (Sweden)

^c University of Kentucky   (United States)

Author keywords

Antiviral and anticancer therapy; Computer aided molecular design; Deoxycytidine kinase; Docking simulation; Homology modeling

Indexed keywords

AMINO ACID; ANTINEOPLASTIC AGENT; ANTIVIRUS AGENT; CLADRIBINE; CYTARABINE; CYTIDINE; DEOXYADENOSINE; DEOXYCYTIDINE; DEOXYCYTIDINE KINASE; DEOXYGUANOSINE; DEOXYGUANOSINE KINASE; GEMCITABINE; PURINE NUCLEOSIDE; PYRIMIDINE NUCLEOSIDE; WATER;

ARTICLE; BINDING AFFINITY; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; CRYSTAL STRUCTURE; DRUG TARGETING; ENZYME ACTIVE SITE; ENZYME STRUCTURE; MOLECULAR MODEL; STRUCTURAL HOMOLOGY; STRUCTURE ANALYSIS;

AMINO ACID SEQUENCE; ANTINEOPLASTIC AGENTS; ANTIVIRAL AGENTS; BINDING SITES; COMPUTER SIMULATION; DEOXYCYTIDINE KINASE; HUMANS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PHOSPHORYLATION; PHOSPHOTRANSFERASES (ALCOHOL GROUP ACCEPTOR); PURINE NUCLEOSIDES; SEQUENCE HOMOLOGY, AMINO ACID; SUBSTRATE SPECIFICITY; WATER;

RUMEX;

EID: 20344405208     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.04.037     Document Type: Article

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