التفاصيل البيبلوغرافية
| العنوان: |
QUANTUM CHEMISTRY IN EVALUATION OF ANTAGONISM IN PLATELET AGGREGATION BETWEEN ADRENALINE AND CLOPIDOGREL. |
| المؤلفون: |
AMZOIU, EMILIA, AMZOIU, MANUEL, SIRBU, RODICA, STANCIU, GABRIELA, ERAND, MATI, SANDULOVICI, ROXANA |
| المصدر: |
Journal of Science & Arts; 2018, Vol. 18 Issue 1, p191-196, 6p |
| مصطلحات موضوعية: |
QUANTUM chemistry, LIPOPHILICITY, ELECTRON density, CHEMICAL antagonism, CLOPIDOGREL |
| مستخلص: |
Drug-platelet agregation receptor interaction of pro and antiaggregants is only possible for a certain distribution of electron density in the molecule that generates electron-rich regions. Molecular electrostatic potential can be used to assess the cuantomolecular lipophilicity, because it characterizes the polarity of a certain region on the van der Waals surface of the molecule. Energy difference between the levels HOMO and LUMO is explaining the stability of the molecule, a low value indicating that the molecule is highly reactive, the most stable molecule is adrenaline. The tendency of donation - acceptance of electrons is described by electronegativity. Greater electronegativity is presented by thiol active metabolite of clopidogrel explaining bigger reactivity of this substance. In case of antagonism between proaggregant adrenaline and antiaggregant clopidogrel it was found that there is not an interaction between the two molecules but only competition for receptor. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
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