Virtual screening approach of sirtuin inhibitors results in two new scaffolds

European Journal of Pharmaceutical Sciences

Volumn 76, Issue , 2015, Pages 27-32

  Kokkonen, Piia ^a   Kokkola, Tarja ^a   Suuronen, Tiina ^a   Poso, Antti ^a   Jarho, Elina ^a   Lahtela Kakkonen, Maija ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

Inhibitor; Sirtuin; Virtual screening

Indexed keywords

HYDROLASE INHIBITOR; SIRTUIN; SIRTUIN 1; SIRTUIN 2; SIRTUIN 3; SIRTUIN INHIBITOR; UNCLASSIFIED DRUG; ZINC BINDING PROTEIN; HISTONE DEACETYLASE INHIBITOR; PROTEIN BINDING;

ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DEGENERATIVE DISEASE; DRUG BINDING SITE; DRUG POTENCY; FLUORESCENCE; IN VITRO STUDY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SCREENING; VIRTUAL SCREENING; ALLOSTERISM; ANTAGONISTS AND INHIBITORS; ARTIFACT; BINDING SITE; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; ENZYME ACTIVE SITE; METABOLISM; MOLECULAR DOCKING; PROTEIN CONFORMATION; SPECTROFLUOROMETRY; STRUCTURE ACTIVITY RELATION;

ALLOSTERIC REGULATION; ARTIFACTS; BINDING SITES; CATALYTIC DOMAIN; COMPUTER-AIDED DESIGN; DRUG DESIGN; HISTONE DEACETYLASE INHIBITORS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; SIRTUIN 2; SIRTUIN 3; SPECTROMETRY, FLUORESCENCE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84929330288     PISSN: 09280987     EISSN: 18790720     Source Type: Journal    
DOI: 10.1016/j.ejps.2015.04.025     Document Type: Article

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