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MOLECULE DESIGN
The models of quantitative relationship between the structure and activity (QSAR), represent a tool for the drug design with little structural information.
QSAR is an in silico process that allows to develop associations between independent variables such as structural characteristics of the compounds and the biological variables, to explore factors associated with the activity of the molecules of interest, accelerating the discovery of new drugs.
Services:
• Prediction of absorption, distribution, metabolism, excretion and toxicity of the molecule.
• Establish a quantitative relationship between the structure chemical and biological activity of the molecule.
• Design of new molecules with possible activity. therapy.
• Predict the activity of the new molecule based on structural data to establish the possible mechanism of action.
• Optimize the chemical structure of molecules to enhance their biological activity.
• Prediction of drug-drug interactions mediated by cytochrome P450.