Abstract

CHEMICAL-QUANTUM CHARACTERIZATION OF CYCLOPHOSPHAMIDE VS. AMINO ACIDS OF THE HUMAN BODY

Samantha Suárez-Rodríguez, Ana Karen Pérez-Pérez, Medardo Galdámez-Velázquez, Giovanny Flores-Romero, Alexis Torres-Solano and Manuel González-Pérez*

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Abstract

Cyclophosphamide (CPM) is a chemotherapeutic agent first discovered in experimental tumors in rats and has since been widely used to treat malignancies and severe manifestations of various autoimmune diseases. The aim was to characterize CPM Amino acids (AA) from the human body by quantum chemistry, to assess whether CPM is an anticancer agent. Hyperchem software was used as a quantum chemistry simulator. The fundamental basis of quantum calculations was the theory of the electron transfer coefficient (ETC). We can see the ETCs ordered according to the quantum well. It is observed that the CPM is located at the bottom of the well. This location leads us to infer that CPM is a longacting substance; in other words, it is difficult to remove from the biological system. The information in the whisker and box plots shows that the probability of oxidative interactions occurring is very high because they are located at the bottom of the quantum well. We found that CPM is a potent oxidant of AAs in the human body; for this reason, it is used as an anticancer chemotherapeutic agent.

Keywords: CPM, Chemical-quantum, Amino acid, Human body, Cancer.