Paper Title
Molecular modeling study of the solvent effect of the enzymatic interaction "miniracorticoid and analogous inhibitors of aldosterone and phosphoramidateamp"
Abstract
Background: Molecular modeling techniques are widely used in chemical, pharmaceutical and agrochemical industries. This theoretical approach enables to predict the mode of interaction with two series of inhibitors (aldosterone and AMP phosphoramidate) with its receptor. The inhibition of enzymes miniracorticoid involved is an important approach in the treatment of in the disease of arterial hypertension
Methods: Our research objective is to study of interaction between the enzyme miniracorticoidinvolved in the disease of arterial hypertension and aldosterone and AMP phosphoramidateusing molecular docking programs. This study is bcased on the effect of solvent on the stability of complexes formed enzymes - ligands during docking molecular using MOEsoftware (modelling Opering Environment).
Results: The results obtained from this work, in which the inhibitions miniracorticoid by molecular modeling methods have been demonstrated
Conclusion: The energy of the complexes in solvated medium is lower than in non-solvate environments. So we conclude that the effect of the solvent increases the stability of the complexes (E-S).
Key words - Interaction- molecular modelling - molecular docking- solvation.