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Computational Study of the Molecular Complexes between 5-HTP with ATP and DHEA. Potential New Drug Resulting from This Complexation

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  1. 1 Institut Charles Gerhardt Montpellier, Montpellier, France
  2. 2 Ecological University of Bucharest, Bucharest, Romania
  3. 3 Institute of Physical Chemistry, Bucharest, Romania
Computational Chemistry·Volume 03, Issue 1·Pages 18–22·Published 26 December 2014·DOI10.4236/cc.2015.31003
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Abstract

Extending the potential interest in new drugs resulting from the association of biologically important molecules in stable complexes, the present study shows that this concept previously implemented in the case of two components could be a meaningful and promising one in the case of three components. The choice was made here to show that the quantum chemical modeling of a tripartite complex with DHEA (DEHYDRO-EPIANDROSTERONE) in a ternary association with 5-hydro- xytryptophan (5-HTP) and adenosine triphosphate acid (ATP) could have a sizable stability.

Keywords5-HTPATPDHEADensity Functional Theory (DFT)
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