AB INITIO STUDY OF THE Na–COLCHICINE POSITIVELY
CHARGED COMPLEX
EDE BODOKI1, DIANA BOGDAN2*, ROBERT SĂNDULESCU1
1"Iuliu Hațieganu" University of Medicine and Pharmacy, Faculty of Pharmacy, 4 Louis Pasteur St., 400349 Cluj-Napoca,
Romania
2National Institute for Research and Development of Isotopic and Molecular Technologies, Molecular and Biomolecular
Department, 103 Donath St., 400293 Cluj-Napoca, Romania
*corresponding author: diana.bogdan@itim-cj.ro
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Abstract:
Colchicine’s multimodal mechanism of action, strongly correlated with its inherent chemical properties, is still in the focal
point of the very recent biomedical studies. In the present study we investigated the geometry and electronic structure of Na–
colchicine positively charged complex (metal adduct ion) using DFT and Hartree-Fock calculations. The geometry of the
metal adduct is investigated for eight different positions of sodium ion relative to the colchicine molecule. The influence of
Na+ upon the electronic structure of colchicine is emphasized by pointing out the changes in the total energy and electronic
structure of the resulting complex.






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