Rational design of biaryl pharmacophore inserted noscapine derivatives as potent tubulin binding anticancer agents

Journal of Computer-Aided Molecular Design

Volumn 29, Issue 3, 2015, Pages 249-270

  Santoshi, Seneha ^a   Manchukonda, Naresh Kumar ^b   Suri, Charu ^a   Sharma, Manya ^a   Sridhar, Balasubramanian ^b   Joseph, Silja ^c   Lopus, Manu ^c   Kantevari, Srinivas ^b   Baitharu, Iswar ^d   Naik, Pradeep Kumar ^a,d  

^a JAYPEE UNIVERSITY OF INFORMATION TECHNOLOGY   (India)

^b INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

^c UNIVERSITY OF MUMBAI   (India)

^d GURU GHASIDAS UNIVERSITY   (India)

Author keywords

Anticancer activity; Binding energy; Molecular docking; Molecular dynamics simulation; Noscapine; Noscapinoid; Toxicity; Tubulin

Indexed keywords

BINDING ENERGY; CANCER CELLS; CELLS; COMPUTATIONAL CHEMISTRY; CYTOLOGY; DISEASES; DISSOCIATION; FREE ENERGY; LANTHANUM COMPOUNDS; LEAD COMPOUNDS; MOLECULAR MODELING; PHARMACODYNAMICS; REACTION KINETICS; TOXICITY;

ANTICANCER ACTIVITIES; BIARYLS; BINDING AFFINITIES; DYNAMICS SIMULATION; MOLECULAR DOCKING; MOLECULAR DYNAMIC SIMULATION; NOSCAPINE; NOSCAPINOID; PHARMACOPHORES; TUBULIN;

MOLECULAR DYNAMICS;

6,7 DIMETHOXY 3 [4 METHOXY 6 METHYL 9 (4 VINYLPHENYL) 5,6,7,8 TETRAHYDRO [1,3]DIOXO[4,5 G]ISOQUINOLIN 5 YL]ISOBENZOFURAN 1(3H) ONE; 6,7 DIMETHOXY 3 [4 METHOXY 6 METHYL 9 (PYRIDIN 3 YL) 5,6,7,8 TETRAHYDRO [1,3]DIOXO[4,5 G]ISOQUINOLIN 5 YL]ISOBENZOFURAN 1(3H) ONE; 6,7 DIMETHOXY 3 [4 METHOXY 6 METHYL 9 [4 (TRIFLUOROMETHYL)PHENYL] 5,6,7,8 TETRAHYDRO [1,3]DIOXO[4,5 G]ISOQUINOLIN 5 YL]ISOBENZOFURAN 1(3H) ONE; ANTINEOPLASTIC AGENT; ETHYL 2 CHLORO 5 [5 (4,5 DIMETHOXY 3 OXO 1,3 DIHYDROISOBENZOFURAN 1 YL) 4 METHOXY 6 METHYL 5,6,7,8 TETRAHYDRO[1,3]DIOXO[4,5 G]ISOQUINOLIN 9 YL]BENZOATE; ETHYL 4 [5 (4,5 DIMETHOXY 3 OXO 1,3 DIHYDROISOBENZOFURAN 1 YL) 4 METHOXY 6 METHYL 5,6,7,8 TETRAHYDRO[1,3]DIOXO[4,5 G]ISOQUINOLIN 9 YL]BENZOATE; HETERODIMER; N [3 [5 (4,5 DIMETHOXY 3 OXO 1,3 DIHYDROISOBENZOFURAN 1 YL) 4 METHOXY 6 METHYL 5,6,7,8 TETRAHYDRO[1,3]DIOXO[4,5 G]ISOQUINOLIN 9 YL]PHENYL]ACETAMIDE; NOSCAPINE; TUBULIN; UNCLASSIFIED DRUG;

A549 CELL LINE; ANIMAL EXPERIMENT; ANIMAL MODEL; ANTIPROLIFERATIVE ACTIVITY; ARTICLE; BINDING AFFINITY; BINDING ASSAY; CELL CYCLE G2 PHASE; CELL CYCLE M PHASE; CONTROLLED STUDY; DISSOCIATION CONSTANT; DRUG BINDING; DRUG SYNTHESIS; ENERGY; FEMALE; HELA CELL LINE; HUMAN; HUMAN CELL; MALE; MCF 7 CELL LINE; MICROTUBULE; MITOSIS INHIBITION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOUSE; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; SOLVATION; SUZUKI REACTION; X RAY CRYSTALLOGRAPHY; ANALOGS AND DERIVATIVES; ANIMAL; CELL CYCLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DESIGN; DRUG EFFECTS; DRUG SCREENING; METABOLISM; MOLECULARLY TARGETED THERAPY; PROCEDURES; STRUCTURE ACTIVITY RELATION; SYNTHESIS; TUMOR CELL LINE;

ANIMALS; ANTINEOPLASTIC AGENTS; CELL CYCLE; CELL LINE, TUMOR; CHEMISTRY TECHNIQUES, SYNTHETIC; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG SCREENING ASSAYS, ANTITUMOR; FEMALE; HELA CELLS; HUMANS; MALE; MICE; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR TARGETED THERAPY; NOSCAPINE; STRUCTURE-ACTIVITY RELATIONSHIP; TUBULIN;

EID: 84977771296     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9820-5     Document Type: Article

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