Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023591690> ?p ?o ?g. }
- W2023591690 endingPage "5759" @default.
- W2023591690 startingPage "5749" @default.
- W2023591690 abstract "Of great interest in recent years has been computationally predicting the novel polypharmacology of drug molecules. Here, we applied an “induced-fit” protocol to improve the homology models of 5-HT2A receptor, and we assessed the quality of these models in retrospective virtual screening. Subsequently, we computationally screened the FDA approved drug molecules against the best induced-fit 5-HT2A models and chose six top scoring hits for experimental assays. Surprisingly, one well-known kinase inhibitor, sorafenib, has shown unexpected promiscuous 5-HTRs binding affinities, Ki = 1959, 56, and 417 nM against 5-HT2A, 5-HT2B, and 5-HT2C, respectively. Our preliminary SAR exploration supports the predicted binding mode and further suggests sorafenib to be a novel lead compound for 5HTR ligand discovery. Although it has been well-known that sorafenib produces anticancer effects through targeting multiple kinases, carefully designed experimental studies are desirable to fully understand whether its “off-target” 5-HTR binding activities contribute to its therapeutic efficacy or otherwise undesirable side effects." @default.
- W2023591690 created "2016-06-24" @default.
- W2023591690 creator A5003852242 @default.
- W2023591690 creator A5007856961 @default.
- W2023591690 creator A5032347340 @default.
- W2023591690 creator A5033463639 @default.
- W2023591690 creator A5045067652 @default.
- W2023591690 creator A5059431543 @default.
- W2023591690 creator A5066060721 @default.
- W2023591690 creator A5067217518 @default.
- W2023591690 creator A5074665620 @default.
- W2023591690 creator A5089190296 @default.
- W2023591690 creator A5089436626 @default.
- W2023591690 date "2012-06-19" @default.
- W2023591690 modified "2023-09-26" @default.
- W2023591690 title "Life Beyond Kinases: Structure-Based Discovery of Sorafenib as Nanomolar Antagonist of 5-HT Receptors" @default.
- W2023591690 cites W1275115506 @default.
- W2023591690 cites W1546400389 @default.
- W2023591690 cites W1965258805 @default.
- W2023591690 cites W1967045887 @default.
- W2023591690 cites W1971417560 @default.
- W2023591690 cites W1972773608 @default.
- W2023591690 cites W1975691556 @default.
- W2023591690 cites W1979166300 @default.
- W2023591690 cites W1980285986 @default.
- W2023591690 cites W1983371169 @default.
- W2023591690 cites W1984784574 @default.
- W2023591690 cites W1985755631 @default.
- W2023591690 cites W1988564488 @default.
- W2023591690 cites W1994289021 @default.
- W2023591690 cites W1998554645 @default.
- W2023591690 cites W2005997645 @default.
- W2023591690 cites W2014582878 @default.
- W2023591690 cites W2015442311 @default.
- W2023591690 cites W2020372058 @default.
- W2023591690 cites W2020389339 @default.
- W2023591690 cites W2022598624 @default.
- W2023591690 cites W2024469135 @default.
- W2023591690 cites W2029174913 @default.
- W2023591690 cites W2029667189 @default.
- W2023591690 cites W2034266737 @default.
- W2023591690 cites W2037993016 @default.
- W2023591690 cites W2043209972 @default.
- W2023591690 cites W2043360059 @default.
- W2023591690 cites W2050269974 @default.
- W2023591690 cites W2057455648 @default.
- W2023591690 cites W2059006070 @default.
- W2023591690 cites W2062380193 @default.
- W2023591690 cites W2065283382 @default.
- W2023591690 cites W2067174909 @default.
- W2023591690 cites W2079241957 @default.
- W2023591690 cites W2081252294 @default.
- W2023591690 cites W2083162388 @default.
- W2023591690 cites W2083394907 @default.
- W2023591690 cites W2084266282 @default.
- W2023591690 cites W2094162409 @default.
- W2023591690 cites W2099900074 @default.
- W2023591690 cites W2099905447 @default.
- W2023591690 cites W2100201978 @default.
- W2023591690 cites W2100561975 @default.
- W2023591690 cites W2100772783 @default.
- W2023591690 cites W2100798572 @default.
- W2023591690 cites W2114167590 @default.
- W2023591690 cites W2114839485 @default.
- W2023591690 cites W2119692371 @default.
- W2023591690 cites W2120841178 @default.
- W2023591690 cites W2122995608 @default.
- W2023591690 cites W2124074156 @default.
- W2023591690 cites W2124662474 @default.
- W2023591690 cites W2124809796 @default.
- W2023591690 cites W2127760066 @default.
- W2023591690 cites W2129153475 @default.
- W2023591690 cites W2129637200 @default.
- W2023591690 cites W2132354058 @default.
- W2023591690 cites W2132629607 @default.
- W2023591690 cites W2133641393 @default.
- W2023591690 cites W2138512826 @default.
- W2023591690 cites W2149963584 @default.
- W2023591690 cites W2150065588 @default.
- W2023591690 cites W2158771425 @default.
- W2023591690 cites W2160192886 @default.
- W2023591690 cites W2162011385 @default.
- W2023591690 cites W2162525969 @default.
- W2023591690 cites W2170146596 @default.
- W2023591690 cites W2176516200 @default.
- W2023591690 cites W2426006819 @default.
- W2023591690 cites W4211248987 @default.
- W2023591690 cites W4251828057 @default.
- W2023591690 doi "https://doi.org/10.1021/jm300338m" @default.
- W2023591690 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3402552" @default.
- W2023591690 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22694093" @default.
- W2023591690 hasPublicationYear "2012" @default.
- W2023591690 type Work @default.
- W2023591690 sameAs 2023591690 @default.
- W2023591690 citedByCount "62" @default.
- W2023591690 countsByYear W20235916902012 @default.
- W2023591690 countsByYear W20235916902013 @default.
- W2023591690 countsByYear W20235916902014 @default.