Insights into the permeability of drugs and drug-like molecules from MI-QSAR and HQSAR studies

Journal of Molecular Modeling

Volumn 18, Issue 3, 2012, Pages 947-962

  Shinde, Ranajit N ^a   Srikanth, K ^a   Sobhia, M Elizabeth ^a  

^a NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH NIPER   (India)

Author keywords

Descriptors; Fragment; HQSAR; Membrane; MI QSAR; Molecular Dynamics Simulation; Solubility

Indexed keywords

ACICLOVIR; ALPRENOLOL; AMINOPHENAZONE; AMOXICILLIN; CAFFEINE; CEFALEXIN; CHLORAMPHENICOL; CHLOROTHIAZIDE; CHLORPROMAZINE; CIMETIDINE; DEXAMETHASONE; DIAZEPAM; DILTIAZEM; DOPAMINE; DOXORUBICIN; ENALAPRIL; ERYTHROMYCIN; ESTRADIOL; FUROSEMIDE; GANCICLOVIR; GRISEOFULVIN; GUANABENZ; HYDROCHLOROTHIAZIDE; HYDROCORTISONE; IBUPROFEN; IMIPRAMINE; INDOMETACIN; LABETALOL; PHENAZONE; UNINDEXED DRUG;

ARTICLE; ATOM; BIOLOGICAL ACTIVITY; CELL STRAIN CACO 2; CHEMICAL BOND; DRUG PENETRATION; HOLOGRAPHIC QUANTITATIVE STRUCTURE ACTIVITY RELATION; MEMBRANE INTERACTION QUANTITATIVE STRUCTURE ACTIVITY RELATION; MOLECULAR DYNAMICS; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CELL MEMBRANE PERMEABILITY; HUMANS; PERMEABILITY; PHARMACEUTICAL PREPARATIONS; PHARMACOKINETICS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84861335392     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1121-5     Document Type: Article

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