Novel G-quadruplex stabilizing agents: In-silico approach and dynamics

Journal of Biomolecular Structure and Dynamics

Volumn 31, Issue 12, 2013, Pages 1497-1518

  Kar, Rajiv Kumar ^a   Suryadevara, Priyanka ^b   Jana, Jagannath ^a   Bhunia, Anirban ^a   Chatterjee, Subhrangsu ^a  

^a BOSE INSTITUTE   (India)

^b National Institute of Pharmaceutical Education and Research (NIPER)   (India)

Author keywords

APBS; Docking; FEP; G quadruplex; MD simulation; WaterLOGSY NMR

Indexed keywords

3 [4 [[[3 [[4 [(2 CYANOETHYL)(METHYL)AMINO]BENZYLIDENE]AMINO]PROPYL]IMINO]METHYL](METHYL)ANILINO]PROPANENITRILE; ANTINEOPLASTIC AGENT; DOUBLE STRANDED DNA; GUANINE QUADRUPLEX; N'1 IMINO(2 PYRIDYL)METHYL 3,4,5 TRIMETHOXYBENZENE 1 CARBOHYDRAZIDE; UNCLASSIFIED DRUG;

3' UNTRANSLATED REGION; 5' UNTRANSLATED REGION; AMINO ACID SEQUENCE; ARTICLE; COMPUTER MODEL; DRUG DESIGN; DRUG SCREENING; FLUORESCENCE SPECTROSCOPY; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR LIBRARY; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN DNA BINDING; SIMULATION; VALIDATION STUDY;

ANILINE COMPOUNDS; BASE SEQUENCE; BINDING SITES; COMPUTER SIMULATION; DNA; EXCIPIENTS; G-QUADRUPLEXES; HYDRAZINES; HYDROGEN BONDING; IMINES; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PYRIDINES; THERMODYNAMICS;

EID: 84887012193     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2012.742246     Document Type: Article

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