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The Resource Coupled Enzyme Activity and Thermal Shift Screening of the Maybridge Rule of 3 Fragment Library Against Trypanosoma brucei Choline Kinase; A Genetically Validated Drug Target, (electronic book)

Coupled Enzyme Activity and Thermal Shift Screening of the Maybridge Rule of 3 Fragment Library Against Trypanosoma brucei Choline Kinase; A Genetically Validated Drug Target, (electronic book)

Label
Coupled Enzyme Activity and Thermal Shift Screening of the Maybridge Rule of 3 Fragment Library Against Trypanosoma brucei Choline Kinase; A Genetically Validated Drug Target
Title
Coupled Enzyme Activity and Thermal Shift Screening of the Maybridge Rule of 3 Fragment Library Against Trypanosoma brucei Choline Kinase; A Genetically Validated Drug Target
Creator
Contributor
Author
Subject
Language
  • eng
  • eng
Summary
In this study we interrogate 630 compounds of the Maybridge Rule of 3 Fragment Library for compounds that interact with, and inhibit TbCK. The Maybridge Rule of 3 Fragment Library is a small collection of quantifiable diverse, pharmacophoric rich, chemical entities that comply with the following criteria; MW ? 300, cLogP ? 3, H-Bond Acceptors ? 3, H-Bond Donors ? 3, Rotatable bonds (Flexibility Index) ? 3, Polar Surface Area ? 60 ¿2 and aqueous solubility ? 1 mM using LogS and high purity (? 95%). Comparisons between two different screening methods, a coupled enzyme activity assay and differential scanning fluorimetry, has allowed identification of compounds that interact and inhibit the T. brucei choline kinase, several of which possess selective trypanocidal activity. Screening of a comparatively small fragment library by two different screening methods has allowed identification of several compounds that interact with and inhibit TbCK, a genetically validated drug target against African sleeping sickness. Some of the inhibitory fragments were also selectively trypanocidal, considering these are relatively simple molecules with no optimization, finding low ?? inhibitors is very encouraging. Moreover some of the morphological phenotypes of these trypanocidal compounds include cell-cycle arrests similar to those observed for the TbCK conditional knockout grown under permissive conditions
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http://library.link/vocab/creatorName
Denton, Helen
Funding information
Wellcome Trust
Language note
English
Literary form
unknown
http://library.link/vocab/relatedWorkOrContributorName
  • Major, Louise L
  • Smith, Terry K
http://library.link/vocab/subjectName
Pharmacology
Label
Coupled Enzyme Activity and Thermal Shift Screening of the Maybridge Rule of 3 Fragment Library Against Trypanosoma brucei Choline Kinase; A Genetically Validated Drug Target, (electronic book)
Instantiates
Publication
Antecedent source
unknown
Control code
627366
Dimensions
other
File format
one file format
Form of item
online
Isbn
9789535109068
Level of compression
unknown
Other control number
10.5772/52668
Quality assurance targets
unknown
Reformatting quality
unknown
Reproduction note
Electronic resource.
Sound
unknown sound
Specific material designation
unspecified
Label
Coupled Enzyme Activity and Thermal Shift Screening of the Maybridge Rule of 3 Fragment Library Against Trypanosoma brucei Choline Kinase; A Genetically Validated Drug Target, (electronic book)
Publication
Antecedent source
unknown
Control code
627366
Dimensions
other
File format
one file format
Form of item
online
Isbn
9789535109068
Level of compression
unknown
Other control number
10.5772/52668
Quality assurance targets
unknown
Reformatting quality
unknown
Reproduction note
Electronic resource.
Sound
unknown sound
Specific material designation
unspecified

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