Molecular dynamics study of non-nucleoside reverse transcriptase inhibitor 4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino] benzonitrile (TMC278/rilpivirine) aggregates: Correlation between amphiphilic properties of the drug and oral bioavailability

Journal of Medicinal Chemistry

Volumn 52, Issue 19, 2009, Pages 5896-5905

  Frenkel, Yulia Volovik ^a,c   Gallicchio, Emilio ^b,c   Das, Kalyan ^a,c   Levy, Ronald M ^b,c   Arnold, Eddy ^a,c  

^a RUTGERS UNIVERSITY   (United States)

^b RUTGERS UNIVERSITY   (United States)

^c State University of New Jersey   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMPHOPHILE; NANOMATERIAL; RILPIVIRINE; SURFACTANT; TYLOXAPOL;

ARTICLE; COMPUTER SIMULATION; DRUG BIOAVAILABILITY; DRUG CONFORMATION; DRUG STRUCTURE; HYDRODYNAMICS; HYDROPHOBICITY; MOLECULAR DYNAMICS; PH MEASUREMENT; PROTON TRANSPORT;

BIOLOGICAL AVAILABILITY; HYDROGEN-ION CONCENTRATION; HYDROPHOBICITY; MOLECULAR CONFORMATION; NANOPARTICLES; NITRILES; PYRIMIDINES; REVERSE TRANSCRIPTASE INHIBITORS; SURFACE PROPERTIES; SURFACE-ACTIVE AGENTS;

EID: 70349650215     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm900282z     Document Type: Article

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