Matches in SemOpenAlex for { <https://semopenalex.org/work/W2055367741> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W2055367741 endingPage "134" @default.
- W2055367741 startingPage "124" @default.
- W2055367741 abstract "Abstract Trypanosoma brucei Pteridine reductase ( TbPTR1 ) is of vital importance and is an established drug target for dreaded Human African trypanosomiasis (HAT). Pharmacophore perception strategy has been employed to identify key chemical features responsible for the biological activity for TbPTR1 . The findings suggest that three different pharmacophore features can be associated with T. brucei anti‐PTR1 activity namely: H‐bond donors (D), Hydrophobic aromatic (H) and Ring aromatic (R). The resulting hypothesis is able to predict the activity of other existing TbPTR1 inhibitors with a correlation coefficient ( r ) of 0.89. An in silico database screening, based on the best hypothesis, has been used to identify some potential nanomolar range TbPTR1 inhibitors. These compounds were then checked by molecular docking and subjected to ADMET analysis. Further, a detailed comparison of the pharmacophore behavior and differential analysis of binding pockets of T. brucei and L. major was made which revealed subtle differences in terms of their shape and charge properties. This investigation can form the basis for tweaking the specificity of compounds for generating new improved species specific inhibitor molecules for Pteridine reductase in these different parasitic protozoans." @default.
- W2055367741 created "2016-06-24" @default.
- W2055367741 creator A5003774336 @default.
- W2055367741 creator A5004180868 @default.
- W2055367741 creator A5083794797 @default.
- W2055367741 date "2014-02-01" @default.
- W2055367741 modified "2023-10-16" @default.
- W2055367741 title "Pharmacophore Mapping, In Silico Screening and Molecular Docking to Identify Selective<i>Trypanosoma brucei</i>Pteridine Reductase Inhibitors" @default.
- W2055367741 cites W1843371601 @default.
- W2055367741 cites W1933176832 @default.
- W2055367741 cites W1977759779 @default.
- W2055367741 cites W1984626136 @default.
- W2055367741 cites W1986928575 @default.
- W2055367741 cites W1994842701 @default.
- W2055367741 cites W2015620110 @default.
- W2055367741 cites W2089209114 @default.
- W2055367741 cites W2094966898 @default.
- W2055367741 cites W2095678848 @default.
- W2055367741 cites W2101138926 @default.
- W2055367741 cites W2111565312 @default.
- W2055367741 cites W2122738561 @default.
- W2055367741 cites W2124398283 @default.
- W2055367741 cites W2127866370 @default.
- W2055367741 cites W2156549384 @default.
- W2055367741 cites W2162166182 @default.
- W2055367741 cites W2171277522 @default.
- W2055367741 doi "https://doi.org/10.1002/minf.201300023" @default.
- W2055367741 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27485569" @default.
- W2055367741 hasPublicationYear "2014" @default.
- W2055367741 type Work @default.
- W2055367741 sameAs 2055367741 @default.
- W2055367741 citedByCount "4" @default.
- W2055367741 countsByYear W20553677412017 @default.
- W2055367741 countsByYear W20553677412020 @default.
- W2055367741 crossrefType "journal-article" @default.
- W2055367741 hasAuthorship W2055367741A5003774336 @default.
- W2055367741 hasAuthorship W2055367741A5004180868 @default.
- W2055367741 hasAuthorship W2055367741A5083794797 @default.
- W2055367741 hasConcept C104317684 @default.
- W2055367741 hasConcept C159047783 @default.
- W2055367741 hasConcept C159110408 @default.
- W2055367741 hasConcept C181199279 @default.
- W2055367741 hasConcept C185592680 @default.
- W2055367741 hasConcept C2775905019 @default.
- W2055367741 hasConcept C2776275976 @default.
- W2055367741 hasConcept C2776924795 @default.
- W2055367741 hasConcept C2778143080 @default.
- W2055367741 hasConcept C2778792689 @default.
- W2055367741 hasConcept C2779502636 @default.
- W2055367741 hasConcept C41685203 @default.
- W2055367741 hasConcept C54355233 @default.
- W2055367741 hasConcept C55493867 @default.
- W2055367741 hasConcept C56173144 @default.
- W2055367741 hasConcept C70721500 @default.
- W2055367741 hasConcept C71240020 @default.
- W2055367741 hasConcept C71924100 @default.
- W2055367741 hasConcept C74187038 @default.
- W2055367741 hasConcept C86803240 @default.
- W2055367741 hasConceptScore W2055367741C104317684 @default.
- W2055367741 hasConceptScore W2055367741C159047783 @default.
- W2055367741 hasConceptScore W2055367741C159110408 @default.
- W2055367741 hasConceptScore W2055367741C181199279 @default.
- W2055367741 hasConceptScore W2055367741C185592680 @default.
- W2055367741 hasConceptScore W2055367741C2775905019 @default.
- W2055367741 hasConceptScore W2055367741C2776275976 @default.
- W2055367741 hasConceptScore W2055367741C2776924795 @default.
- W2055367741 hasConceptScore W2055367741C2778143080 @default.
- W2055367741 hasConceptScore W2055367741C2778792689 @default.
- W2055367741 hasConceptScore W2055367741C2779502636 @default.
- W2055367741 hasConceptScore W2055367741C41685203 @default.
- W2055367741 hasConceptScore W2055367741C54355233 @default.
- W2055367741 hasConceptScore W2055367741C55493867 @default.
- W2055367741 hasConceptScore W2055367741C56173144 @default.
- W2055367741 hasConceptScore W2055367741C70721500 @default.
- W2055367741 hasConceptScore W2055367741C71240020 @default.
- W2055367741 hasConceptScore W2055367741C71924100 @default.
- W2055367741 hasConceptScore W2055367741C74187038 @default.
- W2055367741 hasConceptScore W2055367741C86803240 @default.
- W2055367741 hasIssue "2" @default.
- W2055367741 hasLocation W20553677411 @default.
- W2055367741 hasLocation W20553677412 @default.
- W2055367741 hasOpenAccess W2055367741 @default.
- W2055367741 hasPrimaryLocation W20553677411 @default.
- W2055367741 hasRelatedWork W1070433250 @default.
- W2055367741 hasRelatedWork W1986494882 @default.
- W2055367741 hasRelatedWork W2022077055 @default.
- W2055367741 hasRelatedWork W2038694386 @default.
- W2055367741 hasRelatedWork W2079780807 @default.
- W2055367741 hasRelatedWork W2087940685 @default.
- W2055367741 hasRelatedWork W2156549384 @default.
- W2055367741 hasRelatedWork W2551191253 @default.
- W2055367741 hasRelatedWork W2768425959 @default.
- W2055367741 hasRelatedWork W3215018337 @default.
- W2055367741 hasVolume "33" @default.
- W2055367741 isParatext "false" @default.
- W2055367741 isRetracted "false" @default.
- W2055367741 magId "2055367741" @default.
- W2055367741 workType "article" @default.