Structure-based discovery of a novel pentamidine-related inhibitor of the calcium-binding protein S100B

ACS Medicinal Chemistry Letters

Volumn 3, Issue 12, 2012, Pages 975-979

  McKnight, Laura E ^a   Raman, E Prabhu ^b   Bezawada, Padmavani ^b   Kudrimoti, Sucheta ^b   Wilder, Paul T ^a   Hartman, Kira G ^a   Godoy Ruiz, Raquel ^a   Toth, Eric A ^a   Coop, Andrew ^b   MacKerell, Alexander D ^b   Weber, David J ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF MEDICINE   (United States)

^b UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

calcium binding protein S100B; pentamidine related inhibitor; structure based discovery

Indexed keywords

CALCIUM BINDING PROTEIN; HEPTAMIDINE; HEXAMIDINE; PENTAMIDINE DERIVATIVE; PROTEIN S100B; SBI 4211; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CELL KILLING; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG DESIGN; DRUG PROTEIN BINDING; DRUG SELECTIVITY; DRUG SYNTHESIS; HETERONUCLEAR SINGLE QUANTUM COHERENCE; MELANOMA CELL; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; SIMULATION; STRUCTURE ACTIVITY RELATION;

EID: 84871213217     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml300166s     Document Type: Article

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