4D-LQTA-QSAR and docking study on potent gram-negative specific LpxC inhibitors: A comparison to CoMFA modeling

Molecular Diversity

Volumn 16, Issue 1, 2012, Pages 203-213

  Ghasemi, Jahan B ^a   Safavi Sohi, Reihaneh ^a   Barbosa, Euzébio G ^b  

^a K N TOOSI UNIVERSITY OF TECHNOLOGY   (Iran)

^b UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

4D QSAR; CDOCKER; CoMFA; Gram negative LpxC inhibitors; Molecular dynamic simulation

Indexed keywords

ANTIBIOTIC AGENT; LPXC INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; DRUG STRUCTURE; GRAM NEGATIVE BACTERIUM; IC 50; METHODOLOGY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMULATION;

ALGORITHMS; AMIDOHYDROLASES; ENZYME INHIBITORS; ESCHERICHIA COLI; GRAM-NEGATIVE BACTERIA; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATIC ELECTRICITY;

EID: 84858708631     PISSN: 13811991     EISSN: 1573501X     Source Type: Journal    
DOI: 10.1007/s11030-011-9340-3     Document Type: Article

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