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Generation of Bis-cationic heterocyclic inhibitors of Bacillus subtilis HPr kinase/phosphatase from a ditopic dynamic combinatorial library
KTH, Tidigare Institutioner                               , Kemi.
Vise andre og tillknytning
2003 (engelsk)Inngår i: Journal of Medicinal Chemistry, ISSN 0022-2623, E-ISSN 1520-4804, Vol. 46, nr 26, s. 5803-5811Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Ditopic dynamic combinatorial. libraries were generated and screened toward inhibition of the bifunctional enzyme HPr kinase/phosphatase from Bacillus subtilis. The libraries were composed of all possible combinations resulting from the dynamic interconversion of 16 hydrazides and five monoaldehyde or dialdehyde building blocks, resulting in libraries containing up to 440 different constituents. Of all possible acyl hydrazones formed, active compounds containing two terminal cationic heterocyclic recognition groups separated by a spacer of appropriate structure could be rapidly identified using a dynamic deconvolution procedure. Thus, parallel testing of sublibraries where one specific component was excluded basically revealed all the essential components. A potent ditopic inhibitor, based on 2-amino-benzimidazole, was identified from the process.

sted, utgiver, år, opplag, sider
2003. Vol. 46, nr 26, s. 5803-5811
Emneord [en]
catabolite repression, protein-kinases, molecular recognition, bifunctional enzyme, chemical evolution, phosphorylation, amplification, helicate, target, ccpa
Identifikatorer
URN: urn:nbn:se:kth:diva-23022DOI: 10.1021/jm030917jISI: 000187243700026OAI: oai:DiVA.org:kth-23022DiVA, id: diva2:341720
Merknad
QC 20100525Tilgjengelig fra: 2010-08-10 Laget: 2010-08-10 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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