Structure-based design of novel human Pin1 inhibitors (I)

Bioorganic and Medicinal Chemistry Letters

Volumn 19, Issue 19, 2009, Pages 5613-5616

  Guo, Chuangxing ^a   Hou, Xinjun ^a   Dong, Liming ^a   Dagostino, Eleanor ^a   Greasley, Samantha ^a   Ferre, RoseAnn ^a   Marakovits, Joseph ^a   Johnson, M Catherine ^a   Matthews, David ^a   Mroczkowski, Barbara ^a   Parge, Hans ^a   VanArsdale, Todd ^a   Popoff, Ian ^a   Piraino, Joseph ^a   Margosiak, Stephen ^a   Thomson, James ^a   Los, Gerrit ^a   Murray, Brion W ^a  

^a PFIZER INC   (United States)

Author keywords

Anticancer; Pin1; Pin1 inhibitor; PPIase; SBDD

Indexed keywords

ANTINEOPLASTIC AGENT; PEPTIDYLPROLYL ISOMERASE PIN1; PEPTIDYLPROLYL ISOMERASE PIN1 INHIBITOR; UNCLASSIFIED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; CHEMISTRY; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG POTENCY; DRUG STRUCTURE; HUMAN; HUMAN CELL; MOLECULE; STRUCTURE ACTIVITY RELATION;

AMINO ACID SEQUENCE; BINDING SITES; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; PEPTIDYLPROLYL ISOMERASE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 69949100800     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2009.08.034     Document Type: Article

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27. i) [kcal/mol], at T = 298 K. And ΔΔG = ΔG(21b) - ΔG(18b).