Matches in SemOpenAlex for { <https://semopenalex.org/work/W2053143670> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W2053143670 endingPage "59" @default.
- W2053143670 startingPage "51" @default.
- W2053143670 abstract "Ellipticine [5,11-dimethyl-6H-pyrido[4,3]carbazole] is a planar organic compound isolated from the plant extract of Ochrosia elliptica, with a high degree of antitumor and cytotoxic activity. Ellipticine and its derivatives have different modes of action, which may include intercalation or covalent binding to DNA and interference with the activity of topoisomerase II. In the present work we studied the electronic, geometrical and spectroscopic properties of 31 ellipticine derivatives and analogue compounds, using the semiempirical methods Parametric Method 3 and Zerner's Intermediate Neglect of Differential Overlap. The Zero Differential Overlap semiempirical Molecular Electrostatic Potential (MEP) was also calculated in order to interpret the electronic structure of the molecules. For the biologically tested ellipticines and olivacines we have observed a rule based on the dipole moment values and a selective distribution of active sites (coming from the MEP calculations) that can be used to identify the active molecules. These results provide a pattern which can be used to select potentially active molecules from the untested group of molecules and to design new ellipticine derivatives with improved antitumor activity." @default.
- W2053143670 created "2016-06-24" @default.
- W2053143670 creator A5020141008 @default.
- W2053143670 creator A5041138833 @default.
- W2053143670 creator A5077007378 @default.
- W2053143670 date "2004-11-01" @default.
- W2053143670 modified "2023-10-05" @default.
- W2053143670 title "Semiempirical study on the electronic structure of antitumor drugs ellipticines, olivacines and isoellipticines" @default.
- W2053143670 cites W1516835027 @default.
- W2053143670 cites W1562490899 @default.
- W2053143670 cites W1970490093 @default.
- W2053143670 cites W1972986356 @default.
- W2053143670 cites W1979417190 @default.
- W2053143670 cites W1985083303 @default.
- W2053143670 cites W1987930133 @default.
- W2053143670 cites W1993693747 @default.
- W2053143670 cites W2016521087 @default.
- W2053143670 cites W2020820721 @default.
- W2053143670 cites W2027231745 @default.
- W2053143670 cites W2031742579 @default.
- W2053143670 cites W2039265823 @default.
- W2053143670 cites W2043774489 @default.
- W2053143670 cites W2049239863 @default.
- W2053143670 cites W2070780012 @default.
- W2053143670 cites W2077640396 @default.
- W2053143670 cites W2077973224 @default.
- W2053143670 cites W2081064796 @default.
- W2053143670 cites W2110366203 @default.
- W2053143670 cites W2127336290 @default.
- W2053143670 cites W2135460210 @default.
- W2053143670 cites W2155285940 @default.
- W2053143670 cites W2155358697 @default.
- W2053143670 cites W2320382381 @default.
- W2053143670 cites W2330899520 @default.
- W2053143670 cites W2950199740 @default.
- W2053143670 cites W2951127320 @default.
- W2053143670 cites W2952443482 @default.
- W2053143670 cites W2953280998 @default.
- W2053143670 doi "https://doi.org/10.1016/j.theochem.2004.07.039" @default.
- W2053143670 hasPublicationYear "2004" @default.
- W2053143670 type Work @default.
- W2053143670 sameAs 2053143670 @default.
- W2053143670 citedByCount "15" @default.
- W2053143670 countsByYear W20531436702012 @default.
- W2053143670 countsByYear W20531436702014 @default.
- W2053143670 countsByYear W20531436702015 @default.
- W2053143670 countsByYear W20531436702017 @default.
- W2053143670 countsByYear W20531436702018 @default.
- W2053143670 countsByYear W20531436702020 @default.
- W2053143670 countsByYear W20531436702022 @default.
- W2053143670 crossrefType "journal-article" @default.
- W2053143670 hasAuthorship W2053143670A5020141008 @default.
- W2053143670 hasAuthorship W2053143670A5041138833 @default.
- W2053143670 hasAuthorship W2053143670A5077007378 @default.
- W2053143670 hasConcept C185592680 @default.
- W2053143670 hasConcept C71924100 @default.
- W2053143670 hasConcept C98274493 @default.
- W2053143670 hasConceptScore W2053143670C185592680 @default.
- W2053143670 hasConceptScore W2053143670C71924100 @default.
- W2053143670 hasConceptScore W2053143670C98274493 @default.
- W2053143670 hasIssue "1-3" @default.
- W2053143670 hasLocation W20531436701 @default.
- W2053143670 hasOpenAccess W2053143670 @default.
- W2053143670 hasPrimaryLocation W20531436701 @default.
- W2053143670 hasRelatedWork W1531601525 @default.
- W2053143670 hasRelatedWork W2319480705 @default.
- W2053143670 hasRelatedWork W2384464875 @default.
- W2053143670 hasRelatedWork W2606230654 @default.
- W2053143670 hasRelatedWork W2607424097 @default.
- W2053143670 hasRelatedWork W2748952813 @default.
- W2053143670 hasRelatedWork W2899084033 @default.
- W2053143670 hasRelatedWork W2948807893 @default.
- W2053143670 hasRelatedWork W3031052312 @default.
- W2053143670 hasRelatedWork W2778153218 @default.
- W2053143670 hasVolume "710" @default.
- W2053143670 isParatext "false" @default.
- W2053143670 isRetracted "false" @default.
- W2053143670 magId "2053143670" @default.
- W2053143670 workType "article" @default.