FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2796419743> ?p ?o ?g. }

• W2796419743 endingPage "847" @default.
• W2796419743 startingPage "837" @default.
• W2796419743 abstract "Protein tyrosine phosphatase 1B (PTP1B), a promising target for type II diabetes, obesity, and cancer therapeutics, plays an important negative role in insulin signaling pathways. However, the lack of selectivity over other PTPs, especially for T-cell protein tyrosine phosphatase (TCPTP), is still a challenge for inhibitor development. Recent studies have suggested that the second phosphotyrosine (pTyr) binding site, close to the catalytic domain, may elevate binding affinity while bringing selectivity to inhibitors. Inspired by these studies, a virtual screening method based on a bidentate strategy was employed to identify novel selective inhibitors of PTP1B. Targeting both the active site and the second pTyr binding site of PTP1B, three compounds (CD00466, JFD02943, JFD02945) were found to be competitive inhibitors (Ki range from 1.79 to 10.49 μM). The most effective compound, CD00466, exhibited selectivity over TCPTP (31-fold). Using molecular dynamics simulation and the MM/GBSA binding free energy calculation, this study confirmed that the three inhibitors bound to PTP1B in a bidentate pattern. Our work indicates that bidentate virtual screening is a potential approach to the further investigation of selective PTP1B inhibitors." @default.
• W2796419743 created "2018-04-13" @default.
• W2796419743 creator A5005247471 @default.
• W2796419743 creator A5008171524 @default.
• W2796419743 creator A5034266315 @default.
• W2796419743 creator A5035585187 @default.
• W2796419743 creator A5052441498 @default.
• W2796419743 date "2018-04-02" @default.
• W2796419743 modified "2023-09-24" @default.
• W2796419743 title "Virtual Screening of Novel and Selective Inhibitors of Protein Tyrosine Phosphatase 1B over T-Cell Protein Tyrosine Phosphatase Using a Bidentate Inhibition Strategy" @default.
• W2796419743 cites W1497274503 @default.
• W2796419743 cites W1499420960 @default.
• W2796419743 cites W1751392371 @default.
• W2796419743 cites W1766205641 @default.
• W2796419743 cites W1963529746 @default.
• W2796419743 cites W1969918683 @default.
• W2796419743 cites W1970231951 @default.
• W2796419743 cites W1971253368 @default.
• W2796419743 cites W1980586346 @default.
• W2796419743 cites W1980933072 @default.
• W2796419743 cites W1987114890 @default.
• W2796419743 cites W2006816012 @default.
• W2796419743 cites W2007551386 @default.
• W2796419743 cites W2009763756 @default.
• W2796419743 cites W2011223348 @default.
• W2796419743 cites W2013948951 @default.
• W2796419743 cites W2014276094 @default.
• W2796419743 cites W2015688756 @default.
• W2796419743 cites W2021345207 @default.
• W2796419743 cites W2026671374 @default.
• W2796419743 cites W2027685123 @default.
• W2796419743 cites W2038361288 @default.
• W2796419743 cites W2042572511 @default.
• W2796419743 cites W2043509228 @default.
• W2796419743 cites W2058052041 @default.
• W2796419743 cites W2074267393 @default.
• W2796419743 cites W2088892296 @default.
• W2796419743 cites W2090727292 @default.
• W2796419743 cites W2096864392 @default.
• W2796419743 cites W2098661700 @default.
• W2796419743 cites W2099854272 @default.
• W2796419743 cites W2105103540 @default.
• W2796419743 cites W2105668062 @default.
• W2796419743 cites W2106140689 @default.
• W2796419743 cites W2110400866 @default.
• W2796419743 cites W2115681043 @default.
• W2796419743 cites W2122898723 @default.
• W2796419743 cites W2123229219 @default.
• W2796419743 cites W2132629607 @default.
• W2796419743 cites W2134967712 @default.
• W2796419743 cites W2139144434 @default.
• W2796419743 cites W2144288821 @default.
• W2796419743 cites W2145501578 @default.
• W2796419743 cites W2147993766 @default.
• W2796419743 cites W2152575748 @default.
• W2796419743 cites W2153343124 @default.
• W2796419743 cites W2169678694 @default.
• W2796419743 cites W2174769933 @default.
• W2796419743 cites W2330799739 @default.
• W2796419743 cites W2332712348 @default.
• W2796419743 cites W2444256618 @default.
• W2796419743 cites W2469324777 @default.
• W2796419743 cites W4242372416 @default.
• W2796419743 doi "https://doi.org/10.1021/acs.jcim.8b00040" @default.
• W2796419743 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29608303" @default.
• W2796419743 hasPublicationYear "2018" @default.
• W2796419743 type Work @default.
• W2796419743 sameAs 2796419743 @default.
• W2796419743 citedByCount "12" @default.
• W2796419743 countsByYear W27964197432019 @default.
• W2796419743 countsByYear W27964197432020 @default.
• W2796419743 countsByYear W27964197432021 @default.
• W2796419743 countsByYear W27964197432022 @default.
• W2796419743 countsByYear W27964197432023 @default.
• W2796419743 crossrefType "journal-article" @default.
• W2796419743 hasAuthorship W2796419743A5005247471 @default.
• W2796419743 hasAuthorship W2796419743A5008171524 @default.
• W2796419743 hasAuthorship W2796419743A5034266315 @default.
• W2796419743 hasAuthorship W2796419743A5035585187 @default.
• W2796419743 hasAuthorship W2796419743A5052441498 @default.
• W2796419743 hasConcept C103697762 @default.
• W2796419743 hasConcept C107824862 @default.
• W2796419743 hasConcept C115624301 @default.
• W2796419743 hasConcept C118792377 @default.
• W2796419743 hasConcept C161790260 @default.
• W2796419743 hasConcept C178516000 @default.
• W2796419743 hasConcept C178666793 @default.
• W2796419743 hasConcept C181199279 @default.
• W2796419743 hasConcept C185592680 @default.
• W2796419743 hasConcept C197153747 @default.
• W2796419743 hasConcept C2776165026 @default.
• W2796419743 hasConcept C502942594 @default.
• W2796419743 hasConcept C51639874 @default.
• W2796419743 hasConcept C55493867 @default.
• W2796419743 hasConcept C74187038 @default.
• W2796419743 hasConcept C8010536 @default.
• W2796419743 hasConcept C85528070 @default.
• W2796419743 hasConcept C86803240 @default.

• next