Structure-based virtual screening for novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase and their experimental evaluation

Bioorganic and Medicinal Chemistry

Volumn 17, Issue 3, 2009, Pages 1353-1360

  Deye, Joel ^a   Elam, Christopher ^a   Lape, Michael ^a   Ratliff, Robert ^a   Evans, Kayla ^a   Paula, Stefan ^a  

^a NORTHERN KENTUCKY UNIVERSITY   (United States)

Author keywords

Calcium pump; Compound library; Enzyme inhibition; GOLD; Ligand docking; Prostate cancer; SERCA

Indexed keywords

ADENOSINE TRIPHOSPHATASE INHIBITOR; ADENOSINE TRIPHOSPHATE; SARCOPLASMIC RETICULUM CALCIUM TRANSPORTING ADENOSINE TRIPHOSPHATASE;

ARTICLE; CRYSTAL STRUCTURE; DRUG SCREENING; DRUG STRUCTURE; ENDOPLASMIC RETICULUM; HYDROLYSIS; MOLECULAR DOCKING; PREDICTION; STRUCTURE ANALYSIS;

COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HYDROQUINONES; PROTEIN CONFORMATION; SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES; SMALL MOLECULE LIBRARIES; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 58949095753     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2008.12.010     Document Type: Article

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