Abstract

QUANTUM ANALYSIS OF THE INTERACTION BETWEEN AMINO ACIDS OF THE Μ-OPIOID RECEPTOR AND THE MORPHINE

Carlos Arturo Brito-Pérez, Bernardo Ojeda-Lara, Jesús Francisco Mondragón-Jiménez, Adrián Alvarez-Aguilar, Francisco José Rosales-Hernández and Manuel González-Pérez*

Abstract

Morphine is a synthetic opiate isolated from the plant of Papaver somniferum.[1] This drug belongs to the family of Opioid Analgesics (OA) which are μ-opioid receptor (MOR) agonists.[2] MOR is a G protein-coupled receptor (GPCR), and it exists in the Central Nervous System (CNS) and gastrointestinal tract.[5] The aim of the study is to determine, using the Semi-empirical parametric method 3 (SE-PM3) quantum method, which amino acid of the μ receptor has higher affinity with morphine. Hyperchem Professional Software performed Molecular Modeling and Analysis of Morphine and Amino Acids (AA) (Hyperchem, Hypercube, Multi On for Windows, Series 12-800- 1501800080. Multi On, South 1236-301 Tlacoquemecatl Insurgentes Col. Del Valle, Benito Juarez, DF, Mexico C.P. 03200). The Figure 1 shows in a circle the Morphine-Asp interaction which has a high probability as an antioxidant agent. On the other hand, the Asp- Morphine interaction (illustrated as a square) has a low probability. In the Figure 2 the circle represents the Morphine-Glu interaction, located in a high probability zone (antioxidant agent). On the other hand, the Glu-Morphine interaction (shown as a square) is in a low probability zone. We conclude that Glu (glutamic acid) is the amino acid in MOR that has higher affinity with M, despite having an ETC lower than the other amino acids studied, its probability is much greater.

Keywords: Morphine, Amino Acids, Quantum method, Hyperchem, SE-PM3.