Rational approaches to improving selectivity in drug design

Journal of Medicinal Chemistry

Volumn 55, Issue 4, 2012, Pages 1424-1444

  Huggins, David J ^a   Sherman, Woody ^b   Tidor, Bruce ^c,d,e  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b SCHRÖDINGER INC   (United States)

^c MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^d Massachusetts Institute of Technology   (United States)

^e Department of Electrical Engineering and Computer Science   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMPICILLIN; ANTICOAGULANT AGENT; BESTATIN; BLOOD CLOTTING FACTOR; CARRIER PROTEIN; CEFACLOR; CEFADROXIL; CELECOXIB; CONCANAVALIN A; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITOR; DORAMAPIMOD; ENALAPRIL; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; IMATINIB; MATRIX METALLOPROTEINASE; MIDODRINE; MITOGEN ACTIVATED PROTEIN KINASE P38; MITOGEN ACTIVATED PROTEIN KINASE P38 INHIBITOR; PEPSTATIN; PROTEIN TYROSINE PHOSPHATASE 1B; PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR; TACROLIMUS; TEMOCAPRIL; TUMOR NECROSIS FACTOR ALPHA CONVERTING ENZYME; TUMOR NECROSIS FACTOR ALPHA CONVERTING ENZYME INHIBITOR; UNINDEXED DRUG; VALACICLOVIR; WATER;

ALLOSTERISM; BINDING AFFINITY; DRUG BINDING SITE; DRUG CONFORMATION; DRUG DESIGN; DRUG PROTEIN BINDING; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG TARGETING; ELECTROCHEMISTRY; ENTHALPY; ENTROPY; ENZYME INHIBITION; MOLECULAR DOCKING; MOLECULAR MODEL; MOLECULAR RECOGNITION; MUTATION; NONHUMAN; PDZ DOMAIN; PROTEIN FOLDING; REVIEW; SIMULATION; THERMODYNAMICS;

ALLOSTERIC SITE; DRUG DESIGN; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; PROTEINS; STATIC ELECTRICITY; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; WATER;

EID: 84857380650     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm2010332     Document Type: Review

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