Stacking interactions between demethylated ellipticines and DNA base pairs--a quantum mechanical study.

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dc.contributor.authorSanyal, N Ken_US
dc.contributor.authorRoychoudhury, Men_US
dc.contributor.authorTiwari, S Nen_US
dc.date.accessioned1990-08-01en_US
dc.date.accessioned2009-05-27T09:17:22Z
dc.date.available1990-08-01en_US
dc.date.available2009-05-27T09:17:22Z
dc.date.issued1990-08-01en_US
dc.description.abstractA study of the binding behaviour of ellipticine compounds, derivatives of pyrido (4-3b) carbazole, has been carried out to elucidate the relationship between the drug-activity and demethylation of ellipticine. An all valence electron method (CNDO/2) has been employed to compute molecular charge distribution corresponding to various atomic centres of ellipticines and DNA base pairs. Using these atomic charges and dipoles, intermolecular interaction energy has been calculated with the help of second order perturbation theory and multicentered-multipole expansion technique. A comparative analysis of the binding patterns for nor-5,11-dimethyl-ellipticine and nor-11-methyl-ellipticine has been presented vis-a-vis ellipticine. Attempt has been made to correlate interaction energy studies with demethylation of ellipticine and the possible binding patterns.en_US
dc.description.affiliationDepartment of Physics, University of Gorakhpur.en_US
dc.identifier.citationSanyal NK, Roychoudhury M, Tiwari SN. Stacking interactions between demethylated ellipticines and DNA base pairs--a quantum mechanical study. Indian Journal of Biochemistry & Biophysics. 1990 Aug; 27(4): 222-7en_US
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/27050
dc.language.isoengen_US
dc.source.urihttps://https://www.niscair.res.in/ScienceCommunication/ResearchJournals/rejour/ijbb/ijbb0.aspen_US
dc.subject.meshBase Compositionen_US
dc.subject.meshDNA --chemistryen_US
dc.subject.meshEllipticines --chemistryen_US
dc.subject.meshQuantum Theoryen_US
dc.subject.meshThermodynamicsen_US
dc.titleStacking interactions between demethylated ellipticines and DNA base pairs--a quantum mechanical study.en_US
dc.typeJournal Articleen_US
dc.typeResearch Support, Non-U.S. Gov'ten_US
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