FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2011182034> ?p ?o ?g. }

• W2011182034 endingPage "3931" @default.
• W2011182034 startingPage "3915" @default.
• W2011182034 abstract "A new Plasmodium falciparum histone deacetylase1 (PfHDAC1) homology model was built based on the highest sequence identity available template human histone deacetylase 2 structure. The generated model was carefully evaluated for stereochemical accuracy, folding correctness and overall structure quality. All evaluations were acceptable and consistent. Docking a group of hydroxamic acid histone deacetylase inhibitors and valproic acid has shown binding poses that agree well with inhibitor-bound histone deacetylase-solved structural interactions. Docking affinity dG scores were in agreement with available experimental binding affinities. Further, enzyme-ligand complex stability and reliability were investigated by running 5-nanosecond molecular dynamics simulations. Thorough analysis of the simulation trajectories has shown that enzyme-ligand complexes were stable during the simulation period. Interestingly, the calculated theoretical binding energies of the docked hydroxamic acid inhibitors have shown that the model can discriminate between strong and weaker inhibitors and agrees well with the experimental affinities reported in the literature. The model and the docking methodology can be used in screening virtual libraries for PfHDAC1 inhibitors, since the docking scores have ranked ligands in accordance with experimental binding affinities. Valproic acid calculated theoretical binding energy suggests that it may inhibit PfHDAC1." @default.
• W2011182034 created "2016-06-24" @default.
• W2011182034 creator A5012253545 @default.
• W2011182034 creator A5014393558 @default.
• W2011182034 creator A5029338214 @default.
• W2011182034 creator A5082073775 @default.
• W2011182034 creator A5087510088 @default.
• W2011182034 date "2015-02-11" @default.
• W2011182034 modified "2023-10-16" @default.
• W2011182034 title "Valproic Acid as a Potential Inhibitor of Plasmodium falciparum Histone Deacetylase 1 (PfHDAC1): An in Silico Approach" @default.
• W2011182034 cites W1964248507 @default.
• W2011182034 cites W1965035936 @default.
• W2011182034 cites W1967434207 @default.
• W2011182034 cites W1973974137 @default.
• W2011182034 cites W1975692560 @default.
• W2011182034 cites W1976499671 @default.
• W2011182034 cites W1988473164 @default.
• W2011182034 cites W1988811573 @default.
• W2011182034 cites W1989228404 @default.
• W2011182034 cites W1992192767 @default.
• W2011182034 cites W1999826026 @default.
• W2011182034 cites W2004010498 @default.
• W2011182034 cites W2007653846 @default.
• W2011182034 cites W2009954700 @default.
• W2011182034 cites W2011326960 @default.
• W2011182034 cites W2013434401 @default.
• W2011182034 cites W2035491907 @default.
• W2011182034 cites W2035687084 @default.
• W2011182034 cites W2036458161 @default.
• W2011182034 cites W2040439401 @default.
• W2011182034 cites W2050333027 @default.
• W2011182034 cites W2051933643 @default.
• W2011182034 cites W2057397327 @default.
• W2011182034 cites W2067708335 @default.
• W2011182034 cites W2067888376 @default.
• W2011182034 cites W2071579644 @default.
• W2011182034 cites W2071981322 @default.
• W2011182034 cites W2074986801 @default.
• W2011182034 cites W2082946800 @default.
• W2011182034 cites W2087966689 @default.
• W2011182034 cites W2098249941 @default.
• W2011182034 cites W2101220662 @default.
• W2011182034 cites W2101478195 @default.
• W2011182034 cites W2104945888 @default.
• W2011182034 cites W2108627006 @default.
• W2011182034 cites W2130479394 @default.
• W2011182034 cites W2131288855 @default.
• W2011182034 cites W2133173266 @default.
• W2011182034 cites W2137015675 @default.
• W2011182034 cites W2138937001 @default.
• W2011182034 cites W2152301430 @default.
• W2011182034 cites W2152964937 @default.
• W2011182034 cites W2157391718 @default.
• W2011182034 cites W2158714788 @default.
• W2011182034 cites W2159278252 @default.
• W2011182034 cites W2168448928 @default.
• W2011182034 cites W2171102256 @default.
• W2011182034 cites W2325550803 @default.
• W2011182034 cites W241954630 @default.
• W2011182034 cites W2605068739 @default.
• W2011182034 doi "https://doi.org/10.3390/ijms16023915" @default.
• W2011182034 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4346934" @default.
• W2011182034 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25679451" @default.
• W2011182034 hasPublicationYear "2015" @default.
• W2011182034 type Work @default.
• W2011182034 sameAs 2011182034 @default.
• W2011182034 citedByCount "11" @default.
• W2011182034 countsByYear W20111820342015 @default.
• W2011182034 countsByYear W20111820342016 @default.
• W2011182034 countsByYear W20111820342017 @default.
• W2011182034 countsByYear W20111820342018 @default.
• W2011182034 countsByYear W20111820342019 @default.
• W2011182034 countsByYear W20111820342020 @default.
• W2011182034 countsByYear W20111820342021 @default.
• W2011182034 countsByYear W20111820342023 @default.
• W2011182034 crossrefType "journal-article" @default.
• W2011182034 hasAuthorship W2011182034A5012253545 @default.
• W2011182034 hasAuthorship W2011182034A5014393558 @default.
• W2011182034 hasAuthorship W2011182034A5029338214 @default.
• W2011182034 hasAuthorship W2011182034A5082073775 @default.
• W2011182034 hasAuthorship W2011182034A5087510088 @default.
• W2011182034 hasBestOaLocation W20111820341 @default.
• W2011182034 hasConcept C103697762 @default.
• W2011182034 hasConcept C104317684 @default.
• W2011182034 hasConcept C119157956 @default.
• W2011182034 hasConcept C159110408 @default.
• W2011182034 hasConcept C169627665 @default.
• W2011182034 hasConcept C181199279 @default.
• W2011182034 hasConcept C185592680 @default.
• W2011182034 hasConcept C203014093 @default.
• W2011182034 hasConcept C2775905019 @default.
• W2011182034 hasConcept C2776202225 @default.
• W2011182034 hasConcept C2776281265 @default.
• W2011182034 hasConcept C2778048844 @default.
• W2011182034 hasConcept C2778305200 @default.
• W2011182034 hasConcept C2778371730 @default.
• W2011182034 hasConcept C2780283098 @default.
• W2011182034 hasConcept C41685203 @default.

• next