FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3166282912> ?p ?o ?g. }

• W3166282912 abstract "Protein-protein interactions of Interleukin-17 (IL17) play vital role in the autoimmune and inflammatory diseases, such as rheumatoid arthritis, multiple sclerosis, and psoriasis. Potent therapeutics for these diseases could be developed by blocking or modulating these interactions through biologics, peptide inhibitors and small molecule inhibitors. Unlike biologics, peptide inhibitors are cost effective and can be orally available. Peptide inhibitors do not require a binding groove as that of small molecules either. Therefore, crystal structure of IL17A in complex with a high affinity peptide inhibitor (HAP) (1-IHVTIPADLWDWIN-14) is investigated with an aim to find hot spots that could improve its potency. An in silico mutagenesis strategy was implemented using FoldX PSSM to scan for positions tolerant to amino acid substitution. Three positions T4, A7, and N14 showed improved stability when mutated with 'F/M/Y', 'P' and 'F/M/Y', respectively. A set of 31 mutant peptides are designed through combinations of these tolerant mutations using Build Model application of FoldX. Binding affinity and interactions of 31 peptides are assessed through protein-peptide docking and binding free energy calculations. Two peptides namely, P1 (1-IHVTIPPDLWDWIY-14) and P2 (1-IHVMIPPDLWDWIF-14) showed better binding affinity to IL17A dimerization site compared to HAP. Interactions of P1, P2 and HAP are also analyzed through 100 ns molecular dynamics simulations using GROMACS v5.0. The results revealed that the P2 peptide likely to offer better potency compared to HAP and P1. Therefore, the P2 peptide can be synthesized to develop oral therapies for autoimmune and inflammatory diseases with further experimental evaluations.The online version contains supplementary material available at 10.1007/s13205-021-02856-y." @default.
• W3166282912 created "2021-06-22" @default.
• W3166282912 creator A5008978179 @default.
• W3166282912 creator A5017301859 @default.
• W3166282912 creator A5031419872 @default.
• W3166282912 creator A5054476958 @default.
• W3166282912 creator A5067076414 @default.
• W3166282912 creator A5070834995 @default.
• W3166282912 creator A5071587604 @default.
• W3166282912 creator A5076848718 @default.
• W3166282912 date "2021-05-31" @default.
• W3166282912 modified "2023-10-04" @default.
• W3166282912 title "Protein–protein interaction and in silico mutagenesis studies on IL17A and its peptide inhibitor" @default.
• W3166282912 cites W1031578623 @default.
• W3166282912 cites W1491824558 @default.
• W3166282912 cites W1508752722 @default.
• W3166282912 cites W1924967798 @default.
• W3166282912 cites W1973354423 @default.
• W3166282912 cites W1980619521 @default.
• W3166282912 cites W1982046519 @default.
• W3166282912 cites W1984131081 @default.
• W3166282912 cites W2013988051 @default.
• W3166282912 cites W2017987372 @default.
• W3166282912 cites W2020233428 @default.
• W3166282912 cites W2023490488 @default.
• W3166282912 cites W2054118816 @default.
• W3166282912 cites W2056426915 @default.
• W3166282912 cites W2057477511 @default.
• W3166282912 cites W2058527555 @default.
• W3166282912 cites W2067174909 @default.
• W3166282912 cites W2081693079 @default.
• W3166282912 cites W2081912151 @default.
• W3166282912 cites W2127834887 @default.
• W3166282912 cites W2128572087 @default.
• W3166282912 cites W2132262459 @default.
• W3166282912 cites W2155589321 @default.
• W3166282912 cites W2166087321 @default.
• W3166282912 cites W2170060741 @default.
• W3166282912 cites W2170564629 @default.
• W3166282912 cites W2301655380 @default.
• W3166282912 cites W2322390243 @default.
• W3166282912 cites W2329592726 @default.
• W3166282912 cites W2342374505 @default.
• W3166282912 cites W2397565578 @default.
• W3166282912 cites W2463634719 @default.
• W3166282912 cites W2511256612 @default.
• W3166282912 cites W2572080171 @default.
• W3166282912 cites W2788217325 @default.
• W3166282912 cites W2917394743 @default.
• W3166282912 cites W4371597692 @default.
• W3166282912 doi "https://doi.org/10.1007/s13205-021-02856-y" @default.
• W3166282912 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8167077" @default.
• W3166282912 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34194898" @default.
• W3166282912 hasPublicationYear "2021" @default.
• W3166282912 type Work @default.
• W3166282912 sameAs 3166282912 @default.
• W3166282912 citedByCount "0" @default.
• W3166282912 crossrefType "journal-article" @default.
• W3166282912 hasAuthorship W3166282912A5008978179 @default.
• W3166282912 hasAuthorship W3166282912A5017301859 @default.
• W3166282912 hasAuthorship W3166282912A5031419872 @default.
• W3166282912 hasAuthorship W3166282912A5054476958 @default.
• W3166282912 hasAuthorship W3166282912A5067076414 @default.
• W3166282912 hasAuthorship W3166282912A5070834995 @default.
• W3166282912 hasAuthorship W3166282912A5071587604 @default.
• W3166282912 hasAuthorship W3166282912A5076848718 @default.
• W3166282912 hasBestOaLocation W31662829122 @default.
• W3166282912 hasConcept C103408237 @default.
• W3166282912 hasConcept C103697762 @default.
• W3166282912 hasConcept C104317684 @default.
• W3166282912 hasConcept C143065580 @default.
• W3166282912 hasConcept C159110408 @default.
• W3166282912 hasConcept C161624437 @default.
• W3166282912 hasConcept C16318435 @default.
• W3166282912 hasConcept C185592680 @default.
• W3166282912 hasConcept C2775905019 @default.
• W3166282912 hasConcept C2779281246 @default.
• W3166282912 hasConcept C41685203 @default.
• W3166282912 hasConcept C53105671 @default.
• W3166282912 hasConcept C54355233 @default.
• W3166282912 hasConcept C55493867 @default.
• W3166282912 hasConcept C70721500 @default.
• W3166282912 hasConcept C71924100 @default.
• W3166282912 hasConcept C74187038 @default.
• W3166282912 hasConcept C86803240 @default.
• W3166282912 hasConceptScore W3166282912C103408237 @default.
• W3166282912 hasConceptScore W3166282912C103697762 @default.
• W3166282912 hasConceptScore W3166282912C104317684 @default.
• W3166282912 hasConceptScore W3166282912C143065580 @default.
• W3166282912 hasConceptScore W3166282912C159110408 @default.
• W3166282912 hasConceptScore W3166282912C161624437 @default.
• W3166282912 hasConceptScore W3166282912C16318435 @default.
• W3166282912 hasConceptScore W3166282912C185592680 @default.
• W3166282912 hasConceptScore W3166282912C2775905019 @default.
• W3166282912 hasConceptScore W3166282912C2779281246 @default.
• W3166282912 hasConceptScore W3166282912C41685203 @default.
• W3166282912 hasConceptScore W3166282912C53105671 @default.
• W3166282912 hasConceptScore W3166282912C54355233 @default.
• W3166282912 hasConceptScore W3166282912C55493867 @default.
• W3166282912 hasConceptScore W3166282912C70721500 @default.

• next