S. Yazici, C. Albayrak, I. E. Gümrük?üo?lu, I. Senel and O. Büyükgüng?r, “Experimental and Density Functional Theory (DFT) Studies on (E)-Acetyl-4-(4-Nitrophenyl-diazenyl) Phenol,” Journal of Molecular Structure, Vol. 985, No. 2-3, 2011, pp. 292-298. http://dx.doi.org/10.1016/j.molstruc.2010.11.009

has been cited by the following article:

• TITLE: Theoretical Study of 5-HTP. Potential New Drug Resulting from the Complexation of 5-HTP with ATP

  AUTHORS: Josette Weinberg, Dan A. Lerner

  KEYWORDS: ATP; 5-HTP; Density Functional Theory (DFT); NBO

  JOURNAL NAME: Computational Chemistry, Vol.1 No.1, October 29, 2013

  ABSTRACT: 5-HTP (5-Hydroxytryptophan), is the precursor of the neurotransmitter serotonin. Molecular parameters (interatomic distances and angles, total atomic charge, dipole moments) of 5-HTP (5-Hydroxytryptophan) and ATP (Adenosine triphosphate), and of their possible complex, including its heat of formation, have been computed in an ab initio study involving DFT calculations. The 6-31G* basis set and the B3LYP functional were employed. The aim of this study is to emphasize by DFT calculation the possible existence of a complex between ATP and 5-HTP that may have the properties of a new drug. A Natural Bond Orbital analysis description offers supplementary details for the structure of the molecular units and their interaction.