FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000852402> ?p ?o ?g. }

• W2000852402 endingPage "864" @default.
• W2000852402 startingPage "843" @default.
• W2000852402 abstract "The renin–angiotensin–aldosterone system is a major target for the clinical management of hypertension. Development of renin inhibitors has proven to be problematic due to poor bioavailability and complex synthesis. In this study, we combined pharmacophore modeling and quantitative structure–activity relationship (QSAR) analysis to explore the structural requirements for potent renin inhibitors employing 119 known renin ligands. Genetic algorithm and multiple linear regression analysis were employed to select an optimal combination of pharmacophoric models and physicochemical descriptors to yield self-consistent and predictive QSAR. Two binding pharmacophore models emerged in the optimal QSAR equation (r962=0.746, F-statistic = 43.552, rLOO2=0.697, rPRESS2 against 23 test inhibitors = 0.527). The successful pharmacophores were complemented with exclusion spheres to optimize their receiver operating characteristic curve (ROC) profiles. The QSAR equations and their associated pharmacophore models were validated by the identification and experimental evaluation of new promising renin inhibitory leads retrieved from the National Cancer Institute (NCI) structural database. The most potent hits illustrated IC50 value of 2.6 μM. Successful pharmacophore models were found to be comparable with crystallographically resolved renin binding pocket." @default.
• W2000852402 created "2016-06-24" @default.
• W2000852402 creator A5077488870 @default.
• W2000852402 creator A5079521314 @default.
• W2000852402 date "2011-04-01" @default.
• W2000852402 modified "2023-09-27" @default.
• W2000852402 title "Discovery of new renin inhibitory leads via sequential pharmacophore modeling, QSAR analysis, in silico screening and in vitro evaluation" @default.
• W2000852402 cites W1964321215 @default.
• W2000852402 cites W1969073798 @default.
• W2000852402 cites W1980977337 @default.
• W2000852402 cites W1985699832 @default.
• W2000852402 cites W1985767786 @default.
• W2000852402 cites W1985979889 @default.
• W2000852402 cites W1992443809 @default.
• W2000852402 cites W1993658423 @default.
• W2000852402 cites W1994179922 @default.
• W2000852402 cites W1996378981 @default.
• W2000852402 cites W2003062265 @default.
• W2000852402 cites W2008525757 @default.
• W2000852402 cites W2014276094 @default.
• W2000852402 cites W2015080758 @default.
• W2000852402 cites W2015461838 @default.
• W2000852402 cites W2016250761 @default.
• W2000852402 cites W2018457457 @default.
• W2000852402 cites W2019228643 @default.
• W2000852402 cites W2027086950 @default.
• W2000852402 cites W2032395997 @default.
• W2000852402 cites W2038472611 @default.
• W2000852402 cites W2041662325 @default.
• W2000852402 cites W2048262770 @default.
• W2000852402 cites W2058485615 @default.
• W2000852402 cites W2059434282 @default.
• W2000852402 cites W2060531713 @default.
• W2000852402 cites W2061111857 @default.
• W2000852402 cites W2062291001 @default.
• W2000852402 cites W2068558348 @default.
• W2000852402 cites W2071014064 @default.
• W2000852402 cites W2074599695 @default.
• W2000852402 cites W2076585724 @default.
• W2000852402 cites W2078552937 @default.
• W2000852402 cites W2079949526 @default.
• W2000852402 cites W2080142761 @default.
• W2000852402 cites W2081285751 @default.
• W2000852402 cites W2082448040 @default.
• W2000852402 cites W2088135043 @default.
• W2000852402 cites W2093774213 @default.
• W2000852402 cites W2096483241 @default.
• W2000852402 cites W2097638191 @default.
• W2000852402 cites W2100616711 @default.
• W2000852402 cites W2103205711 @default.
• W2000852402 cites W2105649494 @default.
• W2000852402 cites W2107914594 @default.
• W2000852402 cites W2125253492 @default.
• W2000852402 cites W2135732933 @default.
• W2000852402 cites W2145355174 @default.
• W2000852402 cites W2163577738 @default.
• W2000852402 cites W2176516200 @default.
• W2000852402 cites W2208175234 @default.
• W2000852402 cites W2329014669 @default.
• W2000852402 cites W2949762908 @default.
• W2000852402 cites W2978004453 @default.
• W2000852402 cites W4256064218 @default.
• W2000852402 doi "https://doi.org/10.1016/j.jmgm.2011.02.001" @default.
• W2000852402 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21376648" @default.
• W2000852402 hasPublicationYear "2011" @default.
• W2000852402 type Work @default.
• W2000852402 sameAs 2000852402 @default.
• W2000852402 citedByCount "16" @default.
• W2000852402 countsByYear W20008524022012 @default.
• W2000852402 countsByYear W20008524022013 @default.
• W2000852402 countsByYear W20008524022014 @default.
• W2000852402 countsByYear W20008524022016 @default.
• W2000852402 countsByYear W20008524022017 @default.
• W2000852402 countsByYear W20008524022018 @default.
• W2000852402 countsByYear W20008524022019 @default.
• W2000852402 countsByYear W20008524022020 @default.
• W2000852402 countsByYear W20008524022021 @default.
• W2000852402 countsByYear W20008524022022 @default.
• W2000852402 crossrefType "journal-article" @default.
• W2000852402 hasAuthorship W2000852402A5077488870 @default.
• W2000852402 hasAuthorship W2000852402A5079521314 @default.
• W2000852402 hasConcept C103697762 @default.
• W2000852402 hasConcept C104317684 @default.
• W2000852402 hasConcept C164126121 @default.
• W2000852402 hasConcept C185592680 @default.
• W2000852402 hasConcept C2775905019 @default.
• W2000852402 hasConcept C55493867 @default.
• W2000852402 hasConcept C56173144 @default.
• W2000852402 hasConcept C70721500 @default.
• W2000852402 hasConcept C71240020 @default.
• W2000852402 hasConcept C86803240 @default.
• W2000852402 hasConceptScore W2000852402C103697762 @default.
• W2000852402 hasConceptScore W2000852402C104317684 @default.
• W2000852402 hasConceptScore W2000852402C164126121 @default.
• W2000852402 hasConceptScore W2000852402C185592680 @default.
• W2000852402 hasConceptScore W2000852402C2775905019 @default.
• W2000852402 hasConceptScore W2000852402C55493867 @default.
• W2000852402 hasConceptScore W2000852402C56173144 @default.

• next