Chemosensitizing acridones: In vitro calmodulin dependent cAMP phosphodiesterase inhibition, docking, pharmacophore modeling and 3D QSAR studies

Journal of Molecular Graphics and Modelling

Volumn 40, Issue , 2013, Pages 116-124

  Rajendra Prasad, V V S ^a   Deepak Reddy, G ^a   Appaji, D ^a   Peters, G J ^b   Mayur, Y C ^c  

^a Vishnu Institute of Pharmaceutical Education and Research   (India)

^b VU UNIVERSITY MEDICAL CENTER   (Netherlands)

^c SVKM S DR BHANUBEN NANAVATI COLLEGE OF PHARMACY   (India)

Author keywords

3D QSAR; Acridone; AHPRRR; Calmodulin; Docking; Pharmacophore

Indexed keywords

3D-QSAR; ACRIDONES; AHPRRR; AROMATIC RINGS; CALMODULIN-INHIBITORS; CANCER CELL LINES; CANCER CELLS; DOXORUBICIN; HYDROGEN BOND ACCEPTORS; HYDROPHOBIC REGIONS; IN-VITRO; MOLECULAR DOCKING; PARTIAL LEAST SQUARE REGRESSION ANALYSIS; PHARMACOPHORE MODELING; PHARMACOPHORE MODELS; PHARMACOPHORES; PHOSPHODIESTERASES; PROTEIN-LIGAND INTERACTIONS;

CELL CULTURE; CELLS; COMPUTATIONAL CHEMISTRY; DOCKING; ENZYME INHIBITION; ESTERS; HYDROGEN BONDS; LIGANDS; PHARMACODYNAMICS; REGRESSION ANALYSIS; THREE DIMENSIONAL COMPUTER GRAPHICS;

CALMODULIN;

ACRIDONE DERIVATIVE; CALMODULIN DEPENDENT CYCLIC AMP PHOSPHODIESTERASE; CYCLIC AMP PHOSPHODIESTERASE; UNCLASSIFIED DRUG;

ARTICLE; CELL LINE; CHEMOSENSITIZATION; DRUG MECHANISM; DRUG RESISTANCE; HYDROGEN BOND; IN VITRO STUDY; MOLECULAR DOCKING; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ACRIDONES; CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, TYPE 1; DRUG DESIGN; HL-60 CELLS; HUMANS; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84873038668     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2012.12.009     Document Type: Article

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