FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2247500043> ?p ?o ?g. }

• W2247500043 endingPage "2110" @default.
• W2247500043 startingPage "2094" @default.
• W2247500043 abstract "Telomeres and telomerase are key players in tumorogenesis. Among the various strategies proposed for telomerase inhibition or telomere uncapping, the stabilization of telomeric G-quadruplex (G4) structures is a very promising one. Additionally, G4 stabilizing ligands also act over tumors mediated by the alternative elongation of telomeres. Accordingly, the discovery of novel compounds able to act on telomeres and/or inhibit the telomerase enzyme by stabilizing DNA telomeric G4 structures as well as the development of approaches efficiently prioritizing such compounds constitute active areas of research in computational medicinal chemistry and anticancer drug discovery. In this direction, we applied a virtual screening strategy based on the rigorous application of QSAR best practices and its harmonized integration with structure-based methods. More than 600,000 compounds from commercial databases were screened, the first 99 compounds were prioritized, and 21 commercially available and structurally diverse candidates were purchased and submitted to experimental assays. Such strategy proved to be highly efficient in the prioritization of G4 stabilizer hits, with a hit rate of 23.5%. The best G4 stabilizer hit found exhibited a shift in melting temperature from FRET assay of +7.3 °C at 5 μM, while three other candidates also exhibited a promising stabilizing profile. The two most promising candidates also exhibited a good telomerase inhibitory ability and a mild inhibition of HeLa cells growth. None of these candidates showed antiproliferative effects in normal fibroblasts. Finally, the proposed virtual screening strategy proved to be a practical and reliable tool for the discovery of novel G4 ligands which can be used as starting points of further optimization campaigns." @default.
• W2247500043 created "2016-06-24" @default.
• W2247500043 creator A5002809217 @default.
• W2247500043 creator A5007828593 @default.
• W2247500043 creator A5013570705 @default.
• W2247500043 creator A5020379776 @default.
• W2247500043 creator A5024737795 @default.
• W2247500043 creator A5025569029 @default.
• W2247500043 creator A5029671536 @default.
• W2247500043 creator A5031900984 @default.
• W2247500043 creator A5032790213 @default.
• W2247500043 creator A5036161610 @default.
• W2247500043 creator A5042970171 @default.
• W2247500043 creator A5045365631 @default.
• W2247500043 creator A5046583292 @default.
• W2247500043 creator A5062437071 @default.
• W2247500043 creator A5068000809 @default.
• W2247500043 creator A5076771459 @default.
• W2247500043 creator A5091734590 @default.
• W2247500043 date "2015-09-18" @default.
• W2247500043 modified "2023-09-27" @default.
• W2247500043 title "Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands" @default.
• W2247500043 cites W1483019431 @default.
• W2247500043 cites W1537652800 @default.
• W2247500043 cites W1540105270 @default.
• W2247500043 cites W1574994167 @default.
• W2247500043 cites W1967101571 @default.
• W2247500043 cites W1970283190 @default.
• W2247500043 cites W1973191530 @default.
• W2247500043 cites W1973420497 @default.
• W2247500043 cites W1975875968 @default.
• W2247500043 cites W1981142567 @default.
• W2247500043 cites W1981632642 @default.
• W2247500043 cites W1982355557 @default.
• W2247500043 cites W1982597534 @default.
• W2247500043 cites W1983464445 @default.
• W2247500043 cites W1983856456 @default.
• W2247500043 cites W1984654044 @default.
• W2247500043 cites W1985215832 @default.
• W2247500043 cites W1990451437 @default.
• W2247500043 cites W1990630639 @default.
• W2247500043 cites W1990635146 @default.
• W2247500043 cites W1990810992 @default.
• W2247500043 cites W1992650901 @default.
• W2247500043 cites W1993394468 @default.
• W2247500043 cites W1999434307 @default.
• W2247500043 cites W2002521248 @default.
• W2247500043 cites W2007364705 @default.
• W2247500043 cites W2010047899 @default.
• W2247500043 cites W2014103596 @default.
• W2247500043 cites W2014917528 @default.
• W2247500043 cites W2015080758 @default.
• W2247500043 cites W2018104916 @default.
• W2247500043 cites W2019966295 @default.
• W2247500043 cites W2021876304 @default.
• W2247500043 cites W2025556769 @default.
• W2247500043 cites W2026856852 @default.
• W2247500043 cites W2027696068 @default.
• W2247500043 cites W2028753366 @default.
• W2247500043 cites W2031859779 @default.
• W2247500043 cites W2032354651 @default.
• W2247500043 cites W2033947577 @default.
• W2247500043 cites W2034549041 @default.
• W2247500043 cites W2035288789 @default.
• W2247500043 cites W2042007894 @default.
• W2247500043 cites W2042110087 @default.
• W2247500043 cites W2042278642 @default.
• W2247500043 cites W2044480512 @default.
• W2247500043 cites W2048165645 @default.
• W2247500043 cites W2050456292 @default.
• W2247500043 cites W2052907531 @default.
• W2247500043 cites W2055132246 @default.
• W2247500043 cites W2057069496 @default.
• W2247500043 cites W2066028366 @default.
• W2247500043 cites W2066705481 @default.
• W2247500043 cites W2070292454 @default.
• W2247500043 cites W2080103757 @default.
• W2247500043 cites W2089262533 @default.
• W2247500043 cites W2092220396 @default.
• W2247500043 cites W2093192023 @default.
• W2247500043 cites W2095900421 @default.
• W2247500043 cites W2096541451 @default.
• W2247500043 cites W2104742871 @default.
• W2247500043 cites W2105649494 @default.
• W2247500043 cites W2112415299 @default.
• W2247500043 cites W2114289148 @default.
• W2247500043 cites W2126047677 @default.
• W2247500043 cites W2127760066 @default.
• W2247500043 cites W2128211373 @default.
• W2247500043 cites W2128245586 @default.
• W2247500043 cites W2128956625 @default.
• W2247500043 cites W2134450203 @default.
• W2247500043 cites W2135732933 @default.
• W2247500043 cites W2136995501 @default.
• W2247500043 cites W2141027920 @default.
• W2247500043 cites W2150606034 @default.
• W2247500043 cites W2154053567 @default.
• W2247500043 cites W2157445042 @default.

• next