Applications of 2D descriptors in drug design: A DRAGON tale

Current Topics in Medicinal Chemistry

Volumn 8, Issue 18, 2008, Pages 1628-1655

  Helguera, Aliuska Morales ^a,b   Combes, Robert D ^c   Pérez González, Maykel ^b   Cordeiro, M Natália D S ^a  

^a UNIVERSITY OF PORTO   (Portugal)

^b CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^c RUSSELL AND BURCH HOUSE   (United Kingdom)

Author keywords

2D descriptors; ADME Tox; Anti microbial; Anticancer; DRAGON software; Drug design; Enzymatic inhibition; Receptors affinity

Indexed keywords

1,4 NAPHTHOQUINONE DERIVATIVE; 2 [(CARBOXYMETHYL)SURFANYL] 4 OXO 4 ARYLBUTANOIC ACID; 7 CHLORO 4 (3',5 DISUBSTITUTED ANILINO)QUINOLINE DERIVATIVE; ADENOSINE RECEPTOR; ADENOSINE RECEPTOR BLOCKING AGENT; ADENOSINE RECEPTOR STIMULATING AGENT; ALDEHYDE REDUCTASE; ANTIINFECTIVE AGENT; ANTIMALARIAL AGENT; ANTINEOPLASTIC AGENT; ANTIRETROVIRUS AGENT; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; FLAVANOID; LPXC INHIBITOR; NONSTEROID ANTIINFLAMMATORY AGENT; PROSTAGLANDIN SYNTHASE; UNCLASSIFIED DRUG;

ANTIBACTERIAL ACTIVITY; ANTIMALARIAL ACTIVITY; ANTINEOPLASTIC ACTIVITY; BINDING AFFINITY; COMPUTER AIDED DESIGN; COMPUTER PREDICTION; COMPUTER PROGRAM; CYTOTOXICITY; DRUG DESIGN; DRUG POTENCY; DRUG RECEPTOR BINDING; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME INHIBITION; GENE EXPRESSION; HYDROGEN BOND; IC 50; LIGAND BINDING; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; REVIEW; STRUCTURE ANALYSIS; CHEMISTRY;

ANTI-INFECTIVE AGENTS; DRUG DESIGN; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 59149086030     PISSN: 15680266     EISSN: None     Source Type: Journal    
DOI: 10.2174/156802608786786598     Document Type: Review

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