Rational design, synthesis and biological evaluations of amino-noscapine: A high affinity tubulin-binding noscapinoid

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 5, 2011, Pages 443-454

  Naik, Pradeep K ^a   Chatterji, Biswa Prasun ^c   Vangapandu, Surya N ^a   Aneja, Ritu ^a   Chandra, Ramesh ^d   Kanteveri, Srinivas ^d   Joshi, Harish C ^a,b  

^a EMORY UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

^c UNIVERSITY OF DELHI   (India)

^d INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

Amino noscapine; Anti tumor activity; Free energy of binding; Noscapine; Tubulin binding affinity

Indexed keywords

BINDING ENERGY; FREE ENERGY; HYDROGEN BONDS; MEAN SQUARE ERROR; TUMORS;

AMINO-NOSCAPINE; ANTITUMOUR ACTIVITY; BINDING AFFINITIES; ENERGY SURFACE; FREE ENERGY OF BINDING; GENERALIZED BORN MODELS; INTERACTION ENERGIES; NOSCAPINE; TUBULIN BINDING AFFINITY;

BINDING SITES;

3 (9 AMINO 4 METHOXY 6 METHYL 5,6,7,8 TETRAHYDRO[1,3]DIOXOLO[4,5 G]ISOQUINOLIN 5 YL) 6,7 DIMETHOXY ISOBENZOYFURAN 1(3H) ONE; AMINO ACID; COLCHICINE; NOSCAPINE; NOSCAPINOID; TUBULIN; UNCLASSIFIED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; COMPUTER AIDED DESIGN; CONTROLLED STUDY; DRUG DESIGN; DRUG INHIBITION; DRUG STRUCTURE; DRUG SYNTHESIS; HUMAN; HUMAN CELL; HYDROGEN BOND; LIGAND BINDING; LINEAR INTERACTION ENERGY METHOD WITH A SURFACE GENERALIZED BORN CONTINUUM SOLVATION MODEL; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN INTERACTION;

EID: 80051703052     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9430-4     Document Type: Article

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