Quantum pharmacology allows to study the mechanisms of action of cardiovascular drugs, to predict pharmacological activity and identify the most pronounced pharmacodynamic efficacy and therapeutic activity of new compounds. Calculation of quantum-pharmacological parameters for molecules of beta-blockers (propranolol, atenolol, metoprolol, carvedilol) in aqueous media, research its hydrophobic interaction with receptors allow to form a theoretical basis for the development of new generations of more effective and safe medicines for hypertension treatment. Increased hydrophobicity leads to poor solubility of carvedilol in water and high--in the lipids. The clinical pharmacology of the drug is shown by such indicators as the therapeutic dose, half-life and degree of metabolism in the liver. Due to enhanced interaction with adrenergic receptor effective dose of carvedilol is an order of magnitude lower than other beta-blockers, even with the relatively low bioavailability. Reduced bioavailability of carvedilol versus atenolol, metoprolol and propranolol is caused by elevated metabolism during the first pass through the liver, which is also due to the hydrophobicity of the drug. High solubility in lipids appears to extend the half-life of carvedilol. QSAR studies make an important contribution to the study of the properties of chemical compounds and their pharmacological activity. Software, used for computation of studied properties, has a significant role. A large number of descriptors allows a qualitative and quantitative assessment of the molecules of chemical compounds and prediction of their influence on cardiovascular system.

On the basis of results of quantum-chemical researches with the analysis of atomic structure of molecule, it is shown that polyunsaturated omega-3 fatty acids have the expressed antioxidant and membranoprotective properties that with bioantioxidants karotenoids--tocopherols--are similar. At application in the sportsmen of medical drug Epadol on the basis of polyunsaturated omega-3 fatty acids it is shown that it brakes the activity of lipid peroxidation simultaneously, that is represented by reduction of maintenance of malonic dialdehyde as one of his eventual foods, and assists the improvement of antioxidant defence, that it contingently the increase of concentration of recovered glutathione in the membranes of red blood cells. Under the action of this medical drug the prooxidative-antioxidative coefficient for sportsmen goes down from 2.44 to 1.34 that specifies on a presence at Epadol of antioxidant properties. At the same time sorption ability of erithrocytes, characterizing functional properties of their membranes under act of Epadol goes down from 35.04 +/- 2.23% to 25.3 +/- 1.07% that counteracts to aggregating of red blood cells. An expediency of application of Ukrainian medical drug Epadol on the basis of polyunsaturated fatty acids in practice of preparation of sportsmen for normalization of structural and functional status of cell membranes as well as of prophylaxis noncontrolled apoptosis come into question.

The paper is devoted to the new direction of science - carbonology. Carbon is the base of organic compounds. Compounds of carbon with metals are known. The article gives a brief description of the three allotropic forms of carbon (soot, graphite, diamond), and various types of hybridization in organic structures, describes the role of biogenic carbon. At the end of the twentieth century new carbon nanostructures were discovered: fullerenes and carbon nanotubes. Scientists all over the world study physical, chemical, pharmacological and toxicological properties of the allotropes of carbon structures, which are promising for nanochemistry, nanopharmacology and nanotoxicology. The main characteristics of fullerenes are the high electrical conductivity, antiviral, antioxidant properties and possible use for targeted drug delivery. Carbon nanotubes have strong adsorption properties, high electrical conductivity, strength, are used for targeted drug delivery and the production of biosensors. In order to introduce carbon nanoparticles in the practical medicine it is necessary to intensify research to biosafety.

The work is devoted to the use of quantum-pharmacological approaches in pharmacokinetic investigations. The main objective of the pharmacological researches is to find new, more active and less toxic drugs. To date, such a search is carried out empirically. The current approach can not fully meet the needs of medicine in the new drugs, requires considerable time and financial costs and does not meet modern standards of bioethics. Quantum pharmacology leads to the synthesis of drugs with desired properties is much faster and more efficient. Computer prediction of pharmacokinetic and biopharmaceutical properties of biologically active substances can make 50-70% more effective development of original drugs.

Quantum-pharmacological properties of taurine and its zwitterion form have been studied. Geometrical and energetic parameters were calculated using ab initio 6-31G* technique. These parameters are the following: distance between atoms, distribution of electronic density only of external valency electrons, distribution of electrostatic potential, atomic charges, dipole moment, localization and energy of high and low occupied and low unoccupied molecular orbitals. Authors established that the sulfonate group is a electrophilic center of taurin molecul and amide group is a nucleophilic center. The biggest value of electrostatic potential is located around sulfonate group. The big value of energy of low occupied molecular orbital of taurin gives grounds to consider this substance as a reducing reagent and explains its antioxidant properties.