Computational studies of bacterial resistance to β-lactam antibiotics: Mechanism of covalent inhibition of the penicillin-binding protein 2a (PBP2a)

Journal of Chemical Information and Modeling

Volumn 51, Issue 12, 2011, Pages 3226-3234

  My, Nguyen Hoa ^a   Hirao, Hajime ^b,c   Van, Dang Ung ^a,e   Morokuma, Keiji ^b,d  

^a VIETNAM NATIONAL UNIVERSITY   (Viet Nam)

^b KYOTO UNIVERSITY   (Japan)

^c Nanyang Technological University   (Singapore)

^d EMORY UNIVERSITY   (United States)

^e My Dinh II   (Viet Nam)

Author keywords

[No Author keywords available]

Indexed keywords

ACYLATION; ANTIBIOTICS; BACTERIA; BIOCHEMISTRY; CELL MEMBRANES; DISEASES; HEALTH RISKS; MOLECULAR MODELING; QUANTUM CHEMISTRY; QUANTUM THEORY;

BACTERIAL RESISTANCE; COMPUTATIONAL STUDIES; METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; NONBONDED INTERACTION; PATHOGENIC BACTERIUM; PENICILLIN- BINDING PROTEINS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; RESONANCE STABILIZATION;

ENZYME INHIBITION;

ANTIINFECTIVE AGENT; CEPHALOSPORIN DERIVATIVE; METICILLIN; NITROCEFIN; PENICILLIN BINDING PROTEIN;

ACYLATION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG EFFECT; ENZYME ACTIVE SITE; ENZYMOLOGY; METABOLISM; METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS; PENICILLIN RESISTANCE; THERMODYNAMICS;

ACYLATION; ANTI-BACTERIAL AGENTS; CATALYTIC DOMAIN; CEPHALOSPORINS; METHICILLIN; METHICILLIN RESISTANCE; METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; MODELS, MOLECULAR; PENICILLIN-BINDING PROTEINS; THERMODYNAMICS;

EID: 84555220570     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2004175     Document Type: Article

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