Matches in SemOpenAlex for { <https://semopenalex.org/work/W2912359048> ?p ?o ?g. }
- W2912359048 endingPage "151" @default.
- W2912359048 startingPage "128" @default.
- W2912359048 abstract "Flt3 is an oncogenic kinase involved in different types of leukemia. It is most prominently associated with acute myeloid leukemia (AML). Flt3-specific inhibitors have shown promising results in interfering with AML prompting us to model this interesting target. We implemented ligand-based, QSAR-guided, pharmacophore exploration combined with novel structure-based computational workflow based on docking-based comparative intermolecular contacts analysis (db-CICA) combined with homology modelling to explore the pharmacophoric features of 93 diverse cyclic Flt3 inhibitors. The resulting pharmacophore models were used as virtual search queries to scan the National Cancer Institute (NCI) database for novel Flt3 inhibitory leads. Ten hits of novel scaffolds were captured showing anti-Flt3 IC50 values ranging from 1.2 to 14.7 μM. Interestingly, six of them illustrated low micromolar and submicromolar potencies against the mutated active form of Flt3 (Flt3D835Y) and the related vascular endothelial growth factor receptor 2 (VEGFR2)." @default.
- W2912359048 created "2019-02-21" @default.
- W2912359048 creator A5079521314 @default.
- W2912359048 creator A5085790945 @default.
- W2912359048 date "2019-05-01" @default.
- W2912359048 modified "2023-09-29" @default.
- W2912359048 title "Discovery of novel Flt3 inhibitory chemotypes through extensive ligand-based and new structure-based pharmacophore modelling methods" @default.
- W2912359048 cites W1495575342 @default.
- W2912359048 cites W1544240492 @default.
- W2912359048 cites W1839471912 @default.
- W2912359048 cites W1964321215 @default.
- W2912359048 cites W1964869969 @default.
- W2912359048 cites W1971028883 @default.
- W2912359048 cites W1975623001 @default.
- W2912359048 cites W1983304433 @default.
- W2912359048 cites W1984021058 @default.
- W2912359048 cites W1988111902 @default.
- W2912359048 cites W1988614680 @default.
- W2912359048 cites W1992610234 @default.
- W2912359048 cites W1995443841 @default.
- W2912359048 cites W2000771161 @default.
- W2912359048 cites W2002503643 @default.
- W2912359048 cites W2006142188 @default.
- W2912359048 cites W2009456868 @default.
- W2912359048 cites W2011187792 @default.
- W2912359048 cites W2012084558 @default.
- W2912359048 cites W2014276094 @default.
- W2912359048 cites W2015080758 @default.
- W2912359048 cites W2015642465 @default.
- W2912359048 cites W2019333269 @default.
- W2912359048 cites W2019980219 @default.
- W2912359048 cites W2029056941 @default.
- W2912359048 cites W2032395997 @default.
- W2912359048 cites W2032859945 @default.
- W2912359048 cites W2032986951 @default.
- W2912359048 cites W2035673396 @default.
- W2912359048 cites W2038950074 @default.
- W2912359048 cites W2041415161 @default.
- W2912359048 cites W2041662325 @default.
- W2912359048 cites W2045469701 @default.
- W2912359048 cites W2048262770 @default.
- W2912359048 cites W2049507332 @default.
- W2912359048 cites W2054705937 @default.
- W2912359048 cites W2055043387 @default.
- W2912359048 cites W2056465113 @default.
- W2912359048 cites W2060803687 @default.
- W2912359048 cites W2060809301 @default.
- W2912359048 cites W2061079400 @default.
- W2912359048 cites W2061385654 @default.
- W2912359048 cites W2066171949 @default.
- W2912359048 cites W2066299363 @default.
- W2912359048 cites W2067794162 @default.
- W2912359048 cites W2067797594 @default.
- W2912359048 cites W2071659281 @default.
- W2912359048 cites W2076200054 @default.
- W2912359048 cites W2077332797 @default.
- W2912359048 cites W2078136694 @default.
- W2912359048 cites W2081285751 @default.
- W2912359048 cites W2081573377 @default.
- W2912359048 cites W2083398772 @default.
- W2912359048 cites W2088933990 @default.
- W2912359048 cites W2092157244 @default.
- W2912359048 cites W2092174614 @default.
- W2912359048 cites W2092204388 @default.
- W2912359048 cites W2092269205 @default.
- W2912359048 cites W2095187151 @default.
- W2912359048 cites W2095424107 @default.
- W2912359048 cites W2096676316 @default.
- W2912359048 cites W2105380402 @default.
- W2912359048 cites W2105649494 @default.
- W2912359048 cites W2106882534 @default.
- W2912359048 cites W2118405368 @default.
- W2912359048 cites W2120032851 @default.
- W2912359048 cites W2126075231 @default.
- W2912359048 cites W2126893023 @default.
- W2912359048 cites W2148131811 @default.
- W2912359048 cites W2149032069 @default.
- W2912359048 cites W2152301430 @default.
- W2912359048 cites W2153345005 @default.
- W2912359048 cites W2155704762 @default.
- W2912359048 cites W2156053468 @default.
- W2912359048 cites W2175679780 @default.
- W2912359048 cites W2176516200 @default.
- W2912359048 cites W2204230050 @default.
- W2912359048 cites W2208175234 @default.
- W2912359048 cites W2282397919 @default.
- W2912359048 cites W2290807821 @default.
- W2912359048 cites W2295395729 @default.
- W2912359048 cites W2319682674 @default.
- W2912359048 cites W2322445737 @default.
- W2912359048 cites W2324151075 @default.
- W2912359048 cites W2338103641 @default.
- W2912359048 cites W2396699146 @default.
- W2912359048 cites W2463036497 @default.
- W2912359048 cites W2523702244 @default.
- W2912359048 cites W2523867906 @default.
- W2912359048 cites W2561711660 @default.
- W2912359048 cites W2615038909 @default.