FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3211500024> ?p ?o ?g. }

• W3211500024 abstract "Discovery of natural antioxidants has been carried out for decades relying mainly on experimental approaches that are commonly associated with time and cost demanding biochemical assays. The maturation of quantitative structure activity relationship (QSAR) modelling has provided an alternative approach for searching and designing antioxidant compounds with alleviated costs. As a contribution to this approach, this work aimed to establish a fragment-based 3D-QSAR procedure to discover and design potential antioxidants based on tryptophyllin L structures isolated from the red tree frog Litoria rubella. A force field and a Gaussian 3D-QSAR model were built to screen for potential antioxidants from tripeptide fragments covering all sequences of tryptophyllin L database. Among those, PWY(NH2 ) corresponding tryptophyllin L 4.1 was predicted to have the highest 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) radical cation (ABTS+ ·) scavenging capability. Two newly designed peptides PYW and PYW(NH2 ) together with PWY(NH2 ), tryptophyllin L 4.1, and the reference peptide PWY were synthesized and subjected to two antioxidant assays including ABTS scavenging and ferric reducing antioxidant power assays. Although the experimental TEAC values of the five peptides were roughly similar to those from predictions, the activity order was not in agreement with the predictions. The dissimilarities were accounted by the difference in the experimental procedures, the deviation of modelling regression, and the synergetic effect of structural and experimental features. The ABTS radical scavenging assays revealed that all the tested peptides were strong ABTS+ · scavengers with the antioxidant capabilities approximately twice as high as trolox and higher than glutathione. The ferric reducing activities of the peptides were, on the other hand, much weaker than that of trolox suggesting different antioxidant mechanisms inserted by trolox and the peptides. This work was a demonstration that 3D-QSAR methods can be employed in conjunction with experimental methods to effectively detect and design antioxidant peptides." @default.
• W3211500024 created "2021-11-22" @default.
• W3211500024 creator A5000358550 @default.
• W3211500024 creator A5016597360 @default.
• W3211500024 creator A5031320932 @default.
• W3211500024 creator A5039635321 @default.
• W3211500024 creator A5081289570 @default.
• W3211500024 creator A5085635436 @default.
• W3211500024 creator A5086232813 @default.
• W3211500024 creator A5087580504 @default.
• W3211500024 date "2021-11-14" @default.
• W3211500024 modified "2023-09-24" @default.
• W3211500024 title "Virtual screening and rational design of antioxidant peptides based on tryptophyllin L structures isolated from the Litoria rubella frog" @default.
• W3211500024 cites W1567427264 @default.
• W3211500024 cites W1572772426 @default.
• W3211500024 cites W1969337370 @default.
• W3211500024 cites W1976599392 @default.
• W3211500024 cites W1981667724 @default.
• W3211500024 cites W1982908434 @default.
• W3211500024 cites W1990355893 @default.
• W3211500024 cites W2012991711 @default.
• W3211500024 cites W2017609851 @default.
• W3211500024 cites W2019581279 @default.
• W3211500024 cites W2026610312 @default.
• W3211500024 cites W2037880347 @default.
• W3211500024 cites W2042034811 @default.
• W3211500024 cites W2042133423 @default.
• W3211500024 cites W2042759198 @default.
• W3211500024 cites W2046040114 @default.
• W3211500024 cites W2047564370 @default.
• W3211500024 cites W2049094760 @default.
• W3211500024 cites W2066804401 @default.
• W3211500024 cites W2082177754 @default.
• W3211500024 cites W2084223643 @default.
• W3211500024 cites W2113313289 @default.
• W3211500024 cites W2115708356 @default.
• W3211500024 cites W2135871453 @default.
• W3211500024 cites W2139328007 @default.
• W3211500024 cites W2142163565 @default.
• W3211500024 cites W2158863190 @default.
• W3211500024 cites W2165292984 @default.
• W3211500024 cites W2192713486 @default.
• W3211500024 cites W2199224487 @default.
• W3211500024 cites W2236579283 @default.
• W3211500024 cites W2481870778 @default.
• W3211500024 cites W2521743919 @default.
• W3211500024 cites W2549976854 @default.
• W3211500024 cites W2607032199 @default.
• W3211500024 cites W2794055506 @default.
• W3211500024 cites W2805921370 @default.
• W3211500024 cites W2884748382 @default.
• W3211500024 cites W2942617505 @default.
• W3211500024 cites W2943838845 @default.
• W3211500024 cites W3002002742 @default.
• W3211500024 cites W3010268454 @default.
• W3211500024 cites W3010283997 @default.
• W3211500024 cites W3112842176 @default.
• W3211500024 cites W3118608951 @default.
• W3211500024 cites W2488776888 @default.
• W3211500024 doi "https://doi.org/10.1002/psc.3380" @default.
• W3211500024 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34779094" @default.
• W3211500024 hasPublicationYear "2021" @default.
• W3211500024 type Work @default.
• W3211500024 sameAs 3211500024 @default.
• W3211500024 citedByCount "0" @default.
• W3211500024 crossrefType "journal-article" @default.
• W3211500024 hasAuthorship W3211500024A5000358550 @default.
• W3211500024 hasAuthorship W3211500024A5016597360 @default.
• W3211500024 hasAuthorship W3211500024A5031320932 @default.
• W3211500024 hasAuthorship W3211500024A5039635321 @default.
• W3211500024 hasAuthorship W3211500024A5081289570 @default.
• W3211500024 hasAuthorship W3211500024A5085635436 @default.
• W3211500024 hasAuthorship W3211500024A5086232813 @default.
• W3211500024 hasAuthorship W3211500024A5087580504 @default.
• W3211500024 hasConcept C164126121 @default.
• W3211500024 hasConcept C185592680 @default.
• W3211500024 hasConcept C2776231299 @default.
• W3211500024 hasConcept C2778004101 @default.
• W3211500024 hasConcept C2781031786 @default.
• W3211500024 hasConcept C2781401929 @default.
• W3211500024 hasConcept C2993539680 @default.
• W3211500024 hasConcept C55493867 @default.
• W3211500024 hasConcept C71240020 @default.
• W3211500024 hasConceptScore W3211500024C164126121 @default.
• W3211500024 hasConceptScore W3211500024C185592680 @default.
• W3211500024 hasConceptScore W3211500024C2776231299 @default.
• W3211500024 hasConceptScore W3211500024C2778004101 @default.
• W3211500024 hasConceptScore W3211500024C2781031786 @default.
• W3211500024 hasConceptScore W3211500024C2781401929 @default.
• W3211500024 hasConceptScore W3211500024C2993539680 @default.
• W3211500024 hasConceptScore W3211500024C55493867 @default.
• W3211500024 hasConceptScore W3211500024C71240020 @default.
• W3211500024 hasIssue "4" @default.
• W3211500024 hasLocation W32115000241 @default.
• W3211500024 hasLocation W32115000242 @default.
• W3211500024 hasOpenAccess W3211500024 @default.
• W3211500024 hasPrimaryLocation W32115000241 @default.
• W3211500024 hasRelatedWork W1606232665 @default.
• W3211500024 hasRelatedWork W1917220394 @default.
• W3211500024 hasRelatedWork W1977456596 @default.

• next