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Volumn 3, Issue 12, 2008, Pages 1965-1976

Thiobarbiturates as sirtuin inhibitors: Virtual screening, free-energy calculations, and biological testing

(9) Uciechowska, Urszula a Schemies, Jörg b Neugebauer, Robert C b Huda, Elisabeth Maria b Schmitt, Martin L b Meier, Rene a Verdin, Eric c Jung, Manfred b Sippl, Wolfgang a

a MARTIN LUTHER UNIVERSITY HALLE WITTENBERG (Germany)

b UNIVERSITY OF FREIBURG (Germany)

c UNIVERSITY OF CALIFORNIA (United States)

Author keywords

Binding free energy; Drug design; Hydrolases; Sirtuin; Virtual screening

Indexed keywords

ENZYME INHIBITOR; SIRTUIN; THIOBARBITURIC ACID DERIVATIVE;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DESIGN; FACTUAL DATABASE; HUMAN; SPECTROFLUOROMETRY; STRUCTURE ACTIVITY RELATION; SYNTHESIS; THERMODYNAMICS;

ALGORITHMS; BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; MODELS, MOLECULAR; SIRTUINS; SPECTROMETRY, FLUORESCENCE; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; THIOBARBITURATES;

EID: 57549089690 PISSN: 18607179 EISSN: 18607187 Source Type: Journal
DOI: 10.1002/cmdc.200800104 Document Type: Article

Times cited : (65)

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