Abstract
The purpose of this work was to investigate via DFT calculations the molecular imprinted polymer (MIP) for carvedilol (CAR) testing distinct molar ratios, functional monomers (FMs) and solvents. As result we could determine the best MIP synthesis protocol as being: methacrylic acid (MAA) as FM, chloroform as solvent and 1:4 M ratio, i.e. one CAR to four MAA. After synthesis by rational design, the MIP presented recovery around 100% and high affinity and selectivity for CAR compared to other drugs.
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