In silico inspired design and synthesis of a novel tubulin-binding anti-cancer drug: Folate conjugated noscapine (Targetin)

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 2, 2012, Pages 233-247

  Naik, Pradeep K ^a   Lopus, Manu ^b,c   Aneja, Ritu ^a   Vangapandu, Surya N ^a   Joshi, Harish C ^a  

^a EMORY UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Anti cancer activity; Folate noscapine; Free energy of binding; Microtubule dynamics; Noscapine; Targetin; Tubulin binding affinity

Indexed keywords

BINDING ENERGY; CANCER CELLS; CELLS; DISEASES; DISSOCIATION; FREE ENERGY; SYNTHESIS (CHEMICAL);

ANTICANCER ACTIVITIES; BINDING AFFINITIES; FOLATE-NOSCAPINE; FOLATES; FREE ENERGY OF BINDING; MICROTUBULE DYNAMICS; NOSCAPINE; TARGETIN; TUBULIN BINDING AFFINITY;

MOLECULAR MODELING;

2 [[4 [(2 AMINO 4 HYDROXY 3,4 DIHYDROPTERIDIN 6 YL)METHYLAMINO]BENZOYL]AMINO] 5 [[5 (4,5 DIMETHOXY 3 OXO 1H ISOBENZOFURAN 1 YL) 4 METHOXY 6 METHYL 7,8 DIHYDRO 5H [1,3] DIOXOLO [4,5 G]ISOQUINOLIN 9 YL]AMINO] 5 OXO PENTANOIC ACID; ALPHA TUBULIN; ANTINEOPLASTIC AGENT; BETA TUBULIN; FOLATE RECEPTOR; FOLATE RECEPTOR 1; NOSCAPINE; TARGETIN; UNCLASSIFIED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; BINDING AFFINITY; BINDING ASSAY; CANCER CELL CULTURE; CANCER GROWTH; CARBON NUCLEAR MAGNETIC RESONANCE; CELL PROLIFERATION; COMPUTER MODEL; DEPOLYMERIZATION; DISSOCIATION CONSTANT; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG STRUCTURE; DRUG SYNTHESIS; IN VITRO STUDY; INFRARED SPECTROSCOPY; MICROTUBULE; MICROTUBULE ASSEMBLY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; POLYMERIZATION; PRIORITY JOURNAL; PROTEIN EXPRESSION; PROTON NUCLEAR MAGNETIC RESONANCE; STRUCTURE ACTIVITY RELATION; THIN LAYER CHROMATOGRAPHY;

EID: 84862602899     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9508-z     Document Type: Article

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