PhDD: A new pharmacophore-based de novo design method of drug-like molecules combined with assessment of synthetic accessibility

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 8, 2010, Pages 775-787

  Huang, Qi ^a   Li, Lin Li ^a   Yang, Sheng Yong ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

Assessment of synthetic accessibility; De novo design; Drug like molecule; Pharmacophore model

Indexed keywords

ASSESSMENT OF SYNTHETIC ACCESSIBILITY; BIOLOGICAL FUNCTIONS; CYCLIN-DEPENDENT KINASE; DE NOVO DESIGN; DRUG DESIGN; HISTONE DEACETYLASES; HIV-1 INTEGRASE; NOVEL STRUCTURES; PHARMACOPHORE MODELS; PHARMACOPHORES; TEST RESULTS;

DESIGN; PHARMACODYNAMICS;

MOLECULES;

CYCLIN DEPENDENT KINASE 2 INHIBITOR; HISTONE DEACETYLASE INHIBITOR; INTEGRASE INHIBITOR;

ALGORITHM; ARTICLE; CONTROLLED STUDY; DRUG ACTIVITY; DRUG DESIGN; DRUG STRUCTURE; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL;

CYCLIN-DEPENDENT KINASE 2; DATABASES, FACTUAL; DRUG DESIGN; HIV INTEGRASE INHIBITORS; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 77952097547     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.02.002     Document Type: Article

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