FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2506658812> ?p ?o ?g. }

• W2506658812 endingPage "3118" @default.
• W2506658812 startingPage "3106" @default.
• W2506658812 abstract "Covalent drugs have attracted increasing attention in recent years due to good inhibitory activity and selectivity. Targeting noncatalytic cysteines with irreversible inhibitors is a powerful approach for enhancing pharmacological potency and selectivity because cysteines can form covalent bonds with inhibitors through their nucleophilic thiol groups. However, most human kinases have multiple noncatalytic cysteines within the active site; to accurately predict which cysteine is most likely to form covalent bonds is of great importance but remains a challenge when designing irreversible inhibitors. In this work, FTMap was first applied to check its ability in predicting covalent binding site defined as the region where covalent bonds are formed between cysteines and irreversible inhibitors. Results show that it has excellent performance in detecting the hot spots within the binding pocket, and its hydrogen bond interaction frequency analysis could give us some interesting instructions for identification of covalent binding cysteines. Furthermore, we proposed a simple but useful covalent fragment probing approach and showed that it successfully predicted the covalent binding site of seven targets. By adopting a distance-based method, we observed that the closer the nucleophiles of covalent warheads are to the thiol group of a cysteine, the higher the possibility that a cysteine is prone to form a covalent bond. We believe that the combination of FTMap and our distance-based covalent fragment probing method can become a useful tool in detecting the covalent binding site of these targets." @default.
• W2506658812 created "2016-08-23" @default.
• W2506658812 creator A5004013328 @default.
• W2506658812 creator A5011860975 @default.
• W2506658812 creator A5019427143 @default.
• W2506658812 creator A5019756461 @default.
• W2506658812 creator A5022611054 @default.
• W2506658812 creator A5025213500 @default.
• W2506658812 creator A5028137045 @default.
• W2506658812 creator A5060394961 @default.
• W2506658812 creator A5060654525 @default.
• W2506658812 creator A5065660461 @default.
• W2506658812 creator A5074398906 @default.
• W2506658812 creator A5079553213 @default.
• W2506658812 creator A5084388409 @default.
• W2506658812 creator A5086207660 @default.
• W2506658812 creator A5086219789 @default.
• W2506658812 date "2016-08-10" @default.
• W2506658812 modified "2023-10-14" @default.
• W2506658812 title "Identification of Covalent Binding Sites Targeting Cysteines Based on Computational Approaches" @default.
• W2506658812 cites W1608710587 @default.
• W2506658812 cites W1969909141 @default.
• W2506658812 cites W1975430993 @default.
• W2506658812 cites W1975503494 @default.
• W2506658812 cites W1982478414 @default.
• W2506658812 cites W1995770177 @default.
• W2506658812 cites W2002368219 @default.
• W2506658812 cites W2005236619 @default.
• W2506658812 cites W2006834865 @default.
• W2506658812 cites W2010993054 @default.
• W2506658812 cites W2014938747 @default.
• W2506658812 cites W2015521668 @default.
• W2506658812 cites W2016408686 @default.
• W2506658812 cites W2018339027 @default.
• W2506658812 cites W2019216438 @default.
• W2506658812 cites W2021041611 @default.
• W2506658812 cites W2029963983 @default.
• W2506658812 cites W2030205108 @default.
• W2506658812 cites W2031168104 @default.
• W2506658812 cites W2044333356 @default.
• W2506658812 cites W2046655970 @default.
• W2506658812 cites W2050818562 @default.
• W2506658812 cites W2057079741 @default.
• W2506658812 cites W2058107061 @default.
• W2506658812 cites W2062482627 @default.
• W2506658812 cites W2064115554 @default.
• W2506658812 cites W2069496596 @default.
• W2506658812 cites W2071648775 @default.
• W2506658812 cites W2077804275 @default.
• W2506658812 cites W2078585784 @default.
• W2506658812 cites W2085094809 @default.
• W2506658812 cites W2085744544 @default.
• W2506658812 cites W2093426296 @default.
• W2506658812 cites W2096258722 @default.
• W2506658812 cites W2103935162 @default.
• W2506658812 cites W2116211618 @default.
• W2506658812 cites W2116386978 @default.
• W2506658812 cites W2116762319 @default.
• W2506658812 cites W2117135374 @default.
• W2506658812 cites W2130479394 @default.
• W2506658812 cites W2130787560 @default.
• W2506658812 cites W2131964519 @default.
• W2506658812 cites W2153977062 @default.
• W2506658812 cites W2167854315 @default.
• W2506658812 cites W2170444099 @default.
• W2506658812 cites W2171594021 @default.
• W2506658812 cites W2207919439 @default.
• W2506658812 cites W2319201708 @default.
• W2506658812 cites W2322586343 @default.
• W2506658812 cites W2330799739 @default.
• W2506658812 cites W2914443241 @default.
• W2506658812 cites W973171548 @default.
• W2506658812 doi "https://doi.org/10.1021/acs.molpharmaceut.6b00302" @default.
• W2506658812 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27483186" @default.
• W2506658812 hasPublicationYear "2016" @default.
• W2506658812 type Work @default.
• W2506658812 sameAs 2506658812 @default.
• W2506658812 citedByCount "20" @default.
• W2506658812 countsByYear W25066588122017 @default.
• W2506658812 countsByYear W25066588122018 @default.
• W2506658812 countsByYear W25066588122019 @default.
• W2506658812 countsByYear W25066588122020 @default.
• W2506658812 countsByYear W25066588122021 @default.
• W2506658812 countsByYear W25066588122022 @default.
• W2506658812 countsByYear W25066588122023 @default.
• W2506658812 crossrefType "journal-article" @default.
• W2506658812 hasAuthorship W2506658812A5004013328 @default.
• W2506658812 hasAuthorship W2506658812A5011860975 @default.
• W2506658812 hasAuthorship W2506658812A5019427143 @default.
• W2506658812 hasAuthorship W2506658812A5019756461 @default.
• W2506658812 hasAuthorship W2506658812A5022611054 @default.
• W2506658812 hasAuthorship W2506658812A5025213500 @default.
• W2506658812 hasAuthorship W2506658812A5028137045 @default.
• W2506658812 hasAuthorship W2506658812A5060394961 @default.
• W2506658812 hasAuthorship W2506658812A5060654525 @default.
• W2506658812 hasAuthorship W2506658812A5065660461 @default.
• W2506658812 hasAuthorship W2506658812A5074398906 @default.
• W2506658812 hasAuthorship W2506658812A5079553213 @default.

• next