Abstract

MOLECULAR INTERACTIONS OF GLUCOSE, METFORMIN, AND WATER USING IMPROVED QUANTUM METHODS.

María del Rosario Leticia Cabrera-Lara, Sheila Cortazar-Moya, Emmanuel Rojas-Morales, Luz del Carmen Palma-Ruanova,*Manuel González-Pérez.

ABSTRACT

Metformin (MET) is the drug of choice for the treatment of diabetes type II. It has an antihyperglycemic effect through extrapancreatic actions. It is well known by the principal mechanism of the reaction, that this drug increases insulin sensitivity in liver tissue, decreasing the glycogenesis and, reducing the gluconeogenesis too. In this paper, it related the glucose, MET, and water with the amino acids found in greater concentration in insulin. It calculated this relationship using the computational quantum chemistry methods. These amino acids are leucine, glycine, and alanine. We found that the most stable combination is MET-glucose. This result is in line with the literature for the treatment of diabetes type II.

Keywords: Diabetes, Metformin, Insulin, Molecular Interactions, SE-PM3.