Inversion of the stereochemical configuration (3S, 5S)-clavaminic acid into (3R, 5R)-clavulanic acid: A computationally-assisted approach based on experimental evidence

Journal of Theoretical Biology

Volumn 395, Issue , 2016, Pages 40-50

  Ramirez Malule, Howard ^a   Restrepo, Albeiro ^a   Cardona, Wilson ^a   Junne, Stefan ^b   Neubauer, Peter ^b   Rios Estepa, Rigoberto ^a  

^a UNIVERSIDAD DE ANTIOQUIA   (Colombia)

^b TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Accumulation; Acetate; Clavulanic acid; N acetyl glycyl clavaminic acid; Potential energy surface; Reaction mechanism

Indexed keywords

ANTIBIOTIC AGENT; CLAVAMINIC ACID; CLAVULANIC ACID; UNCLASSIFIED DRUG; HETEROCYCLIC COMPOUND; PROCLAVAMINIC ACID;

ACCUMULATION; ACETATE; ACID; CARBONYL COMPOUND; ENZYME; INHIBITOR; POTENTIAL ENERGY; REACTION KINETICS;

ARTICLE; DRUG EFFECT; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; EPIMERIZATION; NONHUMAN; NUCLEOPHILICITY; PRIORITY JOURNAL; RACEMIZATION; STEREOCHEMISTRY; STREPTOMYCES CLAVULIGERUS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; STEREOISOMERISM;

STREPTOMYCES CLAVULIGERUS;

AZA COMPOUNDS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; STEREOISOMERISM;

EID: 84957989622     PISSN: 00225193     EISSN: 10958541     Source Type: Journal    
DOI: 10.1016/j.jtbi.2016.01.028     Document Type: Article

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