FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2895483304> ?p ?o ?g. }

• W2895483304 endingPage "277" @default.
• W2895483304 startingPage "265" @default.
• W2895483304 abstract "Inhibition of the enzyme human transglutaminase 2 (TG2) is important for the treatment of various diseases. Isatin derivatives, including 3-acylidene-2-oxoindoles, inhibit of human TG2. In this work, quantitative structure–activity relationship (QSAR) and molecular docking studies were performed on the inhibitory activity of isatin derivatives. First, genetic algorithm (GA) was used for selecting the sum of descriptors. Then a small number of descriptors were selected using the enhanced replacement method (ERM) and the stepwise (SW) method. The descriptors nCl, HE, R4m+, and n = CHR were selected using GA-ERM and the descriptors R6m, R5e +, n = CHR, and HE were produced using the GA-SW method. Two linear and nonlinear methods, namely multiple linear regression (MLR) and support vector regression (SVR), were used for QSAR modeling. GA-ERM outperformed in combination with the SVR method, which indicated more power at the prediction of inhibitory activity. Also, molecular docking studies were performed for understanding the mechanism of interaction of isatin derivatives with TG2 and investigating the effect of some descriptors such as the hydration energy (HE) on the inhibitory activity of the studied compounds. Docking results revealed that the formation of hydrogen bonding and hydrophobic interactions play important roles in the connection between the protein TG2 (PDB: 3S3P) and isatin derivatives." @default.
• W2895483304 created "2018-10-12" @default.
• W2895483304 creator A5003900310 @default.
• W2895483304 creator A5049063916 @default.
• W2895483304 date "2018-10-01" @default.
• W2895483304 modified "2023-09-25" @default.
• W2895483304 title "Quantitative structure-activity relationship study using genetic algorithm-enhanced replacement method combined with molecular docking studies of isatin derivatives as inhibitors of human transglutaminase 2" @default.
• W2895483304 cites W1594025823 @default.
• W2895483304 cites W1964321780 @default.
• W2895483304 cites W1975891446 @default.
• W2895483304 cites W1981707564 @default.
• W2895483304 cites W1983209551 @default.
• W2895483304 cites W1987251505 @default.
• W2895483304 cites W1991683089 @default.
• W2895483304 cites W1995228256 @default.
• W2895483304 cites W2002540230 @default.
• W2895483304 cites W2004805782 @default.
• W2895483304 cites W2009648536 @default.
• W2895483304 cites W2009927598 @default.
• W2895483304 cites W2017736503 @default.
• W2895483304 cites W2030152799 @default.
• W2895483304 cites W2030776619 @default.
• W2895483304 cites W2031453575 @default.
• W2895483304 cites W2055287694 @default.
• W2895483304 cites W2061278360 @default.
• W2895483304 cites W2070661531 @default.
• W2895483304 cites W2077920676 @default.
• W2895483304 cites W2080768819 @default.
• W2895483304 cites W2113891687 @default.
• W2895483304 cites W2129636678 @default.
• W2895483304 cites W2141791865 @default.
• W2895483304 cites W2151601135 @default.
• W2895483304 cites W2565004897 @default.
• W2895483304 cites W2583470377 @default.
• W2895483304 cites W2734104082 @default.
• W2895483304 cites W2794005382 @default.
• W2895483304 cites W4255669621 @default.
• W2895483304 doi "https://doi.org/10.1002/jccs.201800262" @default.
• W2895483304 hasPublicationYear "2018" @default.
• W2895483304 type Work @default.
• W2895483304 sameAs 2895483304 @default.
• W2895483304 citedByCount "0" @default.
• W2895483304 crossrefType "journal-article" @default.
• W2895483304 hasAuthorship W2895483304A5003900310 @default.
• W2895483304 hasAuthorship W2895483304A5049063916 @default.
• W2895483304 hasConcept C112887158 @default.
• W2895483304 hasConcept C119857082 @default.
• W2895483304 hasConcept C12267149 @default.
• W2895483304 hasConcept C147597530 @default.
• W2895483304 hasConcept C154945302 @default.
• W2895483304 hasConcept C159110408 @default.
• W2895483304 hasConcept C164126121 @default.
• W2895483304 hasConcept C164923092 @default.
• W2895483304 hasConcept C178790620 @default.
• W2895483304 hasConcept C185592680 @default.
• W2895483304 hasConcept C2777256644 @default.
• W2895483304 hasConcept C32909587 @default.
• W2895483304 hasConcept C41008148 @default.
• W2895483304 hasConcept C41685203 @default.
• W2895483304 hasConcept C48921125 @default.
• W2895483304 hasConcept C65556437 @default.
• W2895483304 hasConcept C71240020 @default.
• W2895483304 hasConcept C71924100 @default.
• W2895483304 hasConceptScore W2895483304C112887158 @default.
• W2895483304 hasConceptScore W2895483304C119857082 @default.
• W2895483304 hasConceptScore W2895483304C12267149 @default.
• W2895483304 hasConceptScore W2895483304C147597530 @default.
• W2895483304 hasConceptScore W2895483304C154945302 @default.
• W2895483304 hasConceptScore W2895483304C159110408 @default.
• W2895483304 hasConceptScore W2895483304C164126121 @default.
• W2895483304 hasConceptScore W2895483304C164923092 @default.
• W2895483304 hasConceptScore W2895483304C178790620 @default.
• W2895483304 hasConceptScore W2895483304C185592680 @default.
• W2895483304 hasConceptScore W2895483304C2777256644 @default.
• W2895483304 hasConceptScore W2895483304C32909587 @default.
• W2895483304 hasConceptScore W2895483304C41008148 @default.
• W2895483304 hasConceptScore W2895483304C41685203 @default.
• W2895483304 hasConceptScore W2895483304C48921125 @default.
• W2895483304 hasConceptScore W2895483304C65556437 @default.
• W2895483304 hasConceptScore W2895483304C71240020 @default.
• W2895483304 hasConceptScore W2895483304C71924100 @default.
• W2895483304 hasIssue "3" @default.
• W2895483304 hasLocation W28954833041 @default.
• W2895483304 hasOpenAccess W2895483304 @default.
• W2895483304 hasPrimaryLocation W28954833041 @default.
• W2895483304 hasRelatedWork W1982178440 @default.
• W2895483304 hasRelatedWork W1982952098 @default.
• W2895483304 hasRelatedWork W2005765053 @default.
• W2895483304 hasRelatedWork W2075469596 @default.
• W2895483304 hasRelatedWork W2258412859 @default.
• W2895483304 hasRelatedWork W2296870177 @default.
• W2895483304 hasRelatedWork W2375269626 @default.
• W2895483304 hasRelatedWork W2952072599 @default.
• W2895483304 hasRelatedWork W3160123744 @default.
• W2895483304 hasRelatedWork W3169215475 @default.
• W2895483304 hasVolume "66" @default.
• W2895483304 isParatext "false" @default.
• W2895483304 isRetracted "false" @default.

• next