FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2989804112> ?p ?o ?g. }

• W2989804112 endingPage "4311" @default.
• W2989804112 startingPage "4311" @default.
• W2989804112 abstract "The lipophilicity of a molecule is a well-recognized as a crucial physicochemical factor that conditions the biological activity of a drug candidate. This study was aimed to evaluate the lipophilicity of isoxazolo[3,4-b]pyridine-3(1H)-ones and their N1-substituted derivatives, which demonstrated pronounced antifungal activities. Several methods, including reversed-phase thin layer chromatography (RP-TLC), reversed phase high-performance liquid chromatography (RP-HPLC), and micellar electrokinetic chromatography (MEKC), were employed. Furthermore, the calculated logP values were estimated using various freely and commercially available software packages and online platforms, as well as density functional theory computations (DFT). Similarities and dissimilarities between the determined lipophilicity indices were assessed using several chemometric approaches. Principal component analysis (PCA) indicated that other features beside lipophilicity affect antifungal activities of the investigated derivatives. Quantitative-structure-retention-relationship (QSRR) analysis by means of genetic algorithm-partial least squares (GA-PLS)-was implemented to rationalize the link between the physicochemical descriptors and lipophilicity. Among the studied compounds, structure 16 should be considered as the best starting structure for further studies, since it demonstrated the lowest lipophilic character within the series while retaining biological activity. Sum of ranking differences (SRD) analysis indicated that the chromatographic approach, regardless of the technique employed, should be considered as the best approach for lipophilicity assessment of isoxazolones." @default.
• W2989804112 created "2019-12-05" @default.
• W2989804112 creator A5002854147 @default.
• W2989804112 creator A5021971032 @default.
• W2989804112 creator A5024050674 @default.
• W2989804112 creator A5026740654 @default.
• W2989804112 creator A5039672638 @default.
• W2989804112 creator A5049175130 @default.
• W2989804112 creator A5079674757 @default.
• W2989804112 creator A5085356641 @default.
• W2989804112 creator A5087817896 @default.
• W2989804112 creator A5091854701 @default.
• W2989804112 date "2019-11-26" @default.
• W2989804112 modified "2023-10-18" @default.
• W2989804112 title "Lipophilicity Determination of Antifungal Isoxazolo[3,4-b]pyridin-3(1H)-ones and Their N1-Substituted Derivatives with Chromatographic and Computational Methods" @default.
• W2989804112 cites W1760557335 @default.
• W2989804112 cites W1965528589 @default.
• W2989804112 cites W1966692624 @default.
• W2989804112 cites W1970944891 @default.
• W2989804112 cites W1978545629 @default.
• W2989804112 cites W1979174096 @default.
• W2989804112 cites W1979386888 @default.
• W2989804112 cites W1987258334 @default.
• W2989804112 cites W1988743171 @default.
• W2989804112 cites W1993180192 @default.
• W2989804112 cites W1996078130 @default.
• W2989804112 cites W2000500972 @default.
• W2989804112 cites W2000798385 @default.
• W2989804112 cites W2002126635 @default.
• W2989804112 cites W2005239968 @default.
• W2989804112 cites W2005844186 @default.
• W2989804112 cites W2006448024 @default.
• W2989804112 cites W2006638034 @default.
• W2989804112 cites W2011215428 @default.
• W2989804112 cites W2017422910 @default.
• W2989804112 cites W2017784810 @default.
• W2989804112 cites W2023271753 @default.
• W2989804112 cites W2031372687 @default.
• W2989804112 cites W2042333052 @default.
• W2989804112 cites W2042801454 @default.
• W2989804112 cites W2048312161 @default.
• W2989804112 cites W2055928473 @default.
• W2989804112 cites W2059856562 @default.
• W2989804112 cites W2062852634 @default.
• W2989804112 cites W2065163726 @default.
• W2989804112 cites W2065905896 @default.
• W2989804112 cites W2068915757 @default.
• W2989804112 cites W2075644761 @default.
• W2989804112 cites W2081653485 @default.
• W2989804112 cites W2083618582 @default.
• W2989804112 cites W2084649778 @default.
• W2989804112 cites W2087184534 @default.
• W2989804112 cites W2097559461 @default.
• W2989804112 cites W2162059525 @default.
• W2989804112 cites W2316885911 @default.
• W2989804112 cites W2320225444 @default.
• W2989804112 cites W2396865890 @default.
• W2989804112 cites W2470433456 @default.
• W2989804112 cites W2564828310 @default.
• W2989804112 cites W2602264688 @default.
• W2989804112 cites W2760959728 @default.
• W2989804112 cites W2883892842 @default.
• W2989804112 cites W2891266007 @default.
• W2989804112 cites W2897320736 @default.
• W2989804112 cites W2908336004 @default.
• W2989804112 cites W2914468039 @default.
• W2989804112 cites W2947069560 @default.
• W2989804112 cites W2950342377 @default.
• W2989804112 cites W2952093930 @default.
• W2989804112 cites W4211110396 @default.
• W2989804112 cites W870631204 @default.
• W2989804112 doi "https://doi.org/10.3390/molecules24234311" @default.
• W2989804112 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6930598" @default.
• W2989804112 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31779124" @default.
• W2989804112 hasPublicationYear "2019" @default.
• W2989804112 type Work @default.
• W2989804112 sameAs 2989804112 @default.
• W2989804112 citedByCount "11" @default.
• W2989804112 countsByYear W29898041122020 @default.
• W2989804112 countsByYear W29898041122021 @default.
• W2989804112 countsByYear W29898041122022 @default.
• W2989804112 countsByYear W29898041122023 @default.
• W2989804112 crossrefType "journal-article" @default.
• W2989804112 hasAuthorship W2989804112A5002854147 @default.
• W2989804112 hasAuthorship W2989804112A5021971032 @default.
• W2989804112 hasAuthorship W2989804112A5024050674 @default.
• W2989804112 hasAuthorship W2989804112A5026740654 @default.
• W2989804112 hasAuthorship W2989804112A5039672638 @default.
• W2989804112 hasAuthorship W2989804112A5049175130 @default.
• W2989804112 hasAuthorship W2989804112A5079674757 @default.
• W2989804112 hasAuthorship W2989804112A5085356641 @default.
• W2989804112 hasAuthorship W2989804112A5087817896 @default.
• W2989804112 hasAuthorship W2989804112A5091854701 @default.
• W2989804112 hasBestOaLocation W29898041121 @default.
• W2989804112 hasConcept C164126121 @default.
• W2989804112 hasConcept C164923092 @default.
• W2989804112 hasConcept C178790620 @default.
• W2989804112 hasConcept C179998833 @default.

• next