Abstract
CHEMICAL INTERACTIONS BETWEEN MOLECULES OF BOTH ALISKIREN AND NEBIVOLOL IN COMBINED APPLICATION
Olga S. Nalyotova, Sergey N. Lyaschuk, Alexander E. Berezin*, Sergey V. Nalyotov
ABSTRACT
Few data are available in regards to utility of fixed combinations of antihypertensive drugs in hypertensive patients. European Society of Hypertension Working Group is recommended for use similar approach for all hypertensive individuals irrespectively severity of blood pressure elevation. Whether fixed combination constructed from the direct rennin inhibitor and beta-adrenoblocker is useful for hypertensive subjects is still not clear. To solve the question it has been used semi empirical docking method that allows us to propose any perspectives for the application of aliskiren and nebivolol in fixed combination. We assayed possible molecular interaction between aliskiren and nebivolol using emi empirical quantum chemistry program based on Dewar and Thiel's NDDO approximation. Obtained results have shown that that interaction between protonated aliskiren and nebivolol within combined application might lead to labile complex without creating novel compounds that could induce an appearance of unusual pharmacological effects. Moreover, the interaction between both molecules and their cations did not lead to the formation of covalent chemical bonds. This interaction was able to construct the formation of unstable compounds that are easily dissociated at normal temperature and under real conditions of salvation in the aquatic environment. In conclusion, we suggest that similar fixed combination might discuss to create new antihypertensive drug.
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