FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2170292026> ?p ?o ?g. }

• W2170292026 abstract "Allosteric modifiers have the potential to fine-tune enzyme activity. Therefore, targeting allosteric sites is gaining increasing recognition as a strategy in drug design. Here we report the use of computational methods for the discovery of the first small-molecule allosteric inhibitor of the collagenolytic cysteine peptidase cathepsin K, a major target for the treatment of osteoporosis. The molecule NSC13345 is identified by high-throughput docking of compound libraries to surface sites on the peptidase that are connected to the active site by an evolutionarily conserved network of residues (protein sector). The crystal structure of the complex shows that NSC13345 binds to a novel allosteric site on cathepsin K. The compound acts as a hyperbolic mixed modifier in the presence of a synthetic substrate, it completely inhibits collagen degradation and has good selectivity for cathepsin K over related enzymes. Altogether, these properties qualify our methodology and NSC13345 as promising candidates for allosteric drug design. Allosteric sites are an increasingly used target for drug design. Here, the authors computationally predict an allosteric site in cathepsin K and subsequently identify a small-molecule allosteric modifier." @default.
• W2170292026 created "2016-06-24" @default.
• W2170292026 creator A5025020051 @default.
• W2170292026 creator A5035048768 @default.
• W2170292026 creator A5050583390 @default.
• W2170292026 creator A5052038300 @default.
• W2170292026 creator A5067790211 @default.
• W2170292026 creator A5079931608 @default.
• W2170292026 date "2014-02-11" @default.
• W2170292026 modified "2023-10-07" @default.
• W2170292026 title "A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods" @default.
• W2170292026 cites W135027921 @default.
• W2170292026 cites W1533371356 @default.
• W2170292026 cites W1856234173 @default.
• W2170292026 cites W1968024679 @default.
• W2170292026 cites W1973522884 @default.
• W2170292026 cites W1974093948 @default.
• W2170292026 cites W1980274652 @default.
• W2170292026 cites W1991947705 @default.
• W2170292026 cites W1996308898 @default.
• W2170292026 cites W1998122353 @default.
• W2170292026 cites W1999961572 @default.
• W2170292026 cites W2000482990 @default.
• W2170292026 cites W2005474992 @default.
• W2170292026 cites W2009123297 @default.
• W2170292026 cites W2009393104 @default.
• W2170292026 cites W2013052723 @default.
• W2170292026 cites W2013726100 @default.
• W2170292026 cites W2018677458 @default.
• W2170292026 cites W2025114711 @default.
• W2170292026 cites W2039975390 @default.
• W2170292026 cites W2041205020 @default.
• W2170292026 cites W2043100498 @default.
• W2170292026 cites W2043914705 @default.
• W2170292026 cites W2048209665 @default.
• W2170292026 cites W2049598343 @default.
• W2170292026 cites W2049682677 @default.
• W2170292026 cites W2049891971 @default.
• W2170292026 cites W2053937911 @default.
• W2170292026 cites W2061463182 @default.
• W2170292026 cites W2067439258 @default.
• W2170292026 cites W2073953827 @default.
• W2170292026 cites W2086201428 @default.
• W2170292026 cites W2086279137 @default.
• W2170292026 cites W2091307684 @default.
• W2170292026 cites W2092006899 @default.
• W2170292026 cites W2092857017 @default.
• W2170292026 cites W2095420958 @default.
• W2170292026 cites W2100811920 @default.
• W2170292026 cites W2105668062 @default.
• W2170292026 cites W2124026197 @default.
• W2170292026 cites W2134742468 @default.
• W2170292026 cites W2136385105 @default.
• W2170292026 cites W2141865837 @default.
• W2170292026 cites W2145897869 @default.
• W2170292026 cites W2149728196 @default.
• W2170292026 cites W2151457629 @default.
• W2170292026 cites W2176516200 @default.
• W2170292026 cites W35794182 @default.
• W2170292026 doi "https://doi.org/10.1038/ncomms4287" @default.
• W2170292026 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24518821" @default.
• W2170292026 hasPublicationYear "2014" @default.
• W2170292026 type Work @default.
• W2170292026 sameAs 2170292026 @default.
• W2170292026 citedByCount "70" @default.
• W2170292026 countsByYear W21702920262014 @default.
• W2170292026 countsByYear W21702920262015 @default.
• W2170292026 countsByYear W21702920262016 @default.
• W2170292026 countsByYear W21702920262017 @default.
• W2170292026 countsByYear W21702920262018 @default.
• W2170292026 countsByYear W21702920262019 @default.
• W2170292026 countsByYear W21702920262020 @default.
• W2170292026 countsByYear W21702920262021 @default.
• W2170292026 countsByYear W21702920262022 @default.
• W2170292026 countsByYear W21702920262023 @default.
• W2170292026 crossrefType "journal-article" @default.
• W2170292026 hasAuthorship W2170292026A5025020051 @default.
• W2170292026 hasAuthorship W2170292026A5035048768 @default.
• W2170292026 hasAuthorship W2170292026A5050583390 @default.
• W2170292026 hasAuthorship W2170292026A5052038300 @default.
• W2170292026 hasAuthorship W2170292026A5067790211 @default.
• W2170292026 hasAuthorship W2170292026A5079931608 @default.
• W2170292026 hasBestOaLocation W21702920261 @default.
• W2170292026 hasConcept C103697762 @default.
• W2170292026 hasConcept C109964505 @default.
• W2170292026 hasConcept C161624437 @default.
• W2170292026 hasConcept C166342909 @default.
• W2170292026 hasConcept C167844969 @default.
• W2170292026 hasConcept C181199279 @default.
• W2170292026 hasConcept C185592680 @default.
• W2170292026 hasConcept C2779201268 @default.
• W2170292026 hasConcept C2780034444 @default.
• W2170292026 hasConcept C41183919 @default.
• W2170292026 hasConcept C55493867 @default.
• W2170292026 hasConcept C74187038 @default.
• W2170292026 hasConceptScore W2170292026C103697762 @default.
• W2170292026 hasConceptScore W2170292026C109964505 @default.
• W2170292026 hasConceptScore W2170292026C161624437 @default.
• W2170292026 hasConceptScore W2170292026C166342909 @default.
• W2170292026 hasConceptScore W2170292026C167844969 @default.

• next