FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1990672790> ?p ?o ?g. }

• W1990672790 endingPage "1350003" @default.
• W1990672790 startingPage "1350003" @default.
• W1990672790 abstract "The genome sequence of Plasmodium falciparum reveals that many metabolic pathways are unique as compared to its human host. Metabolic Network Analysis was carried out to find the essential enzymes critical for the survival of the pathogen. In the present study, choke point and load point analysis was used to locate putative targets. The identified targets were further checked to confirm that no alternate pathway or human homolog exists. Among the top 15 enzymes obtained from this analysis, we have selected P. falciparum orotidine-5'-monophosphate decarboxylase (PfODCase) enzyme as it is sequentially and structurally different from that of humans, for searching novel inhibitors. A five-point 3D pharmacophore was generated for the crystal structure of PfODCase complexes with uridine-5'-monophosphate (U5P). The binding site environment shows three H-bond acceptors, one H-bond donor and one negative ionizable feature. This pharmacophore model was used as a 3D query to perform virtual screening experiments against 2,664,779 standard lead compounds obtained from the freely available ZINC database. Top 10 hits obtained from virtual screening were selected for molecular docking experiments against PfODCase in order to verify their results and to have a better insight into their binding modes. Here, docking of U5P with PfODCase is used as a control. We have identified six compounds, among them, few are U5P analogs and others are novel ones with diverse scaffolds. The key residues: Lys42, Asp20, Lys72, Ser127, Ala184, Gln185 and Arg203 at the main binding pocket of PfODCase are responsible for better stability of diverse ligands. These compounds according to their free energy of binding could serve as potent leads for designing novel inhibitors against malarial ODCase enzyme." @default.
• W1990672790 created "2016-06-24" @default.
• W1990672790 creator A5019831880 @default.
• W1990672790 creator A5040789290 @default.
• W1990672790 creator A5068837620 @default.
• W1990672790 date "2013-07-16" @default.
• W1990672790 modified "2023-09-23" @default.
• W1990672790 title "DRUG TARGET PRIORITIZATION IN PLASMODIUM FALCIPARUM THROUGH METABOLIC NETWORK ANALYSIS, AND INHIBITOR DESIGNING USING VIRTUAL SCREENING AND DOCKING APPROACH" @default.
• W1990672790 cites W1584846756 @default.
• W1990672790 cites W1758395617 @default.
• W1990672790 cites W2004901557 @default.
• W1990672790 cites W2019851585 @default.
• W1990672790 cites W2052907531 @default.
• W1990672790 cites W2055043387 @default.
• W1990672790 cites W2058591986 @default.
• W1990672790 cites W2062888678 @default.
• W1990672790 cites W2070145018 @default.
• W1990672790 cites W2072038477 @default.
• W1990672790 cites W2094491295 @default.
• W1990672790 cites W2101847661 @default.
• W1990672790 cites W2104784495 @default.
• W1990672790 cites W2105668062 @default.
• W1990672790 cites W2108859156 @default.
• W1990672790 cites W2111825982 @default.
• W1990672790 cites W2112941164 @default.
• W1990672790 cites W2116729094 @default.
• W1990672790 cites W2118103211 @default.
• W1990672790 cites W2130479394 @default.
• W1990672790 cites W2139512775 @default.
• W1990672790 cites W2140000393 @default.
• W1990672790 cites W2152776677 @default.
• W1990672790 cites W2163480486 @default.
• W1990672790 cites W2167062204 @default.
• W1990672790 cites W2173108077 @default.
• W1990672790 cites W2176516200 @default.
• W1990672790 cites W2208203352 @default.
• W1990672790 cites W2949387234 @default.
• W1990672790 cites W3103786587 @default.
• W1990672790 cites W4361774069 @default.
• W1990672790 doi "https://doi.org/10.1142/s0219720013500030" @default.
• W1990672790 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23859267" @default.
• W1990672790 hasPublicationYear "2013" @default.
• W1990672790 type Work @default.
• W1990672790 sameAs 1990672790 @default.
• W1990672790 citedByCount "2" @default.
• W1990672790 countsByYear W19906727902014 @default.
• W1990672790 countsByYear W19906727902019 @default.
• W1990672790 crossrefType "journal-article" @default.
• W1990672790 hasAuthorship W1990672790A5019831880 @default.
• W1990672790 hasAuthorship W1990672790A5040789290 @default.
• W1990672790 hasAuthorship W1990672790A5068837620 @default.
• W1990672790 hasConcept C103697762 @default.
• W1990672790 hasConcept C104317684 @default.
• W1990672790 hasConcept C107824862 @default.
• W1990672790 hasConcept C159110408 @default.
• W1990672790 hasConcept C162324750 @default.
• W1990672790 hasConcept C181199279 @default.
• W1990672790 hasConcept C185592680 @default.
• W1990672790 hasConcept C203014093 @default.
• W1990672790 hasConcept C2775905019 @default.
• W1990672790 hasConcept C2777615720 @default.
• W1990672790 hasConcept C2778048844 @default.
• W1990672790 hasConcept C2778371730 @default.
• W1990672790 hasConcept C41685203 @default.
• W1990672790 hasConcept C539667460 @default.
• W1990672790 hasConcept C55493867 @default.
• W1990672790 hasConcept C56173144 @default.
• W1990672790 hasConcept C63222358 @default.
• W1990672790 hasConcept C70721500 @default.
• W1990672790 hasConcept C71240020 @default.
• W1990672790 hasConcept C71924100 @default.
• W1990672790 hasConcept C74187038 @default.
• W1990672790 hasConcept C86803240 @default.
• W1990672790 hasConceptScore W1990672790C103697762 @default.
• W1990672790 hasConceptScore W1990672790C104317684 @default.
• W1990672790 hasConceptScore W1990672790C107824862 @default.
• W1990672790 hasConceptScore W1990672790C159110408 @default.
• W1990672790 hasConceptScore W1990672790C162324750 @default.
• W1990672790 hasConceptScore W1990672790C181199279 @default.
• W1990672790 hasConceptScore W1990672790C185592680 @default.
• W1990672790 hasConceptScore W1990672790C203014093 @default.
• W1990672790 hasConceptScore W1990672790C2775905019 @default.
• W1990672790 hasConceptScore W1990672790C2777615720 @default.
• W1990672790 hasConceptScore W1990672790C2778048844 @default.
• W1990672790 hasConceptScore W1990672790C2778371730 @default.
• W1990672790 hasConceptScore W1990672790C41685203 @default.
• W1990672790 hasConceptScore W1990672790C539667460 @default.
• W1990672790 hasConceptScore W1990672790C55493867 @default.
• W1990672790 hasConceptScore W1990672790C56173144 @default.
• W1990672790 hasConceptScore W1990672790C63222358 @default.
• W1990672790 hasConceptScore W1990672790C70721500 @default.
• W1990672790 hasConceptScore W1990672790C71240020 @default.
• W1990672790 hasConceptScore W1990672790C71924100 @default.
• W1990672790 hasConceptScore W1990672790C74187038 @default.
• W1990672790 hasConceptScore W1990672790C86803240 @default.
• W1990672790 hasIssue "04" @default.
• W1990672790 hasLocation W19906727901 @default.
• W1990672790 hasLocation W19906727902 @default.

• next