Abstract
The present paper is focused on determination of the main parameters of Chlortetracycline. Chlortetracycline belongs to one of the most used family of antibiotics worldwide, Tetracyclines. Because of the large spectrum of infections which can be treated with this category of antibiotics there are attempts to find new derivatives from this class. The compounds derived from the same basic structure exhibit same chemical properties, that is why knowing in detail the main physico-chemical properties of Chlortetracycline could be a real help in synthesize new efficient derivatives. In order to evaluate the reactivity and biological activity HyperChem was used to establish the optimized structure, the electro-optical, the energetic and QSAR parameters. The solvatochromic methods allowed determining the intermolecular interactions types and their contribution to the spectral shifts of measured electronic absorption bands. Based on computational and solvatochromic results, the excited state dipole moment of Chlortetracycline was established by variation method.
Highlights
Ethylene glycolThe values of C1 – C4 regression coefficients were used to estimate the contribution of each type of interactions to the spectral shifts of π – π ٭visible band of CTC in different solvents
The present paper is focused on determination of the main parameters of Chlortetracycline
In order to correlate the biological activity with the structure of a given molecular system, the quantitative structure – activity relation analysis (QSAR) was used [7]
Summary
The values of C1 – C4 regression coefficients were used to estimate the contribution of each type of interactions to the spectral shifts of π – π ٭visible band of CTC in different solvents. As it results from this table, the major contribution of the universal interactions (orientation-induction with P1% - described be the term C1f(ε)) and dispersion-polarization with P2% - described by C2f(n)) is almost 90%
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