Combinatorially-generated library of 6-fluoroquinolone analogs as potential novel antitubercular agents: A chemometric and molecular modeling assessment

Journal of Molecular Modeling

Volumn 18, Issue 5, 2012, Pages 1735-1753

  Minovski, Nikola ^a   Perdih, Andrej ^a   Solmajer, Tom ^a  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

Antibacterial agents; CombiChem; DNA gyrase; Fluoroquinolones; Molecular docking; Pharmacophore modeling; QSAR; Tuberculosis

Indexed keywords

6 FLUOROQUINOLONE DERIVATIVE; QUINOLONE DERIVATIVE; TUBERCULOSTATIC AGENT; UNCLASSIFIED DRUG;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BIOLOGICAL ACTIVITY; CHEMOMETRICS; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARY; DRUG STRUCTURE; MOLECULAR DOCKING; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VIRTUAL REALITY;

ANTITUBERCULAR AGENTS; COMBINATORIAL CHEMISTRY TECHNIQUES; DRUG DESIGN; FLUOROQUINOLONES; LIBRARIES, DIGITAL; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; NEURAL NETWORKS (COMPUTER); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 84861229565     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1179-0     Document Type: Article

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