Estudio de las interacciones químico cuánticas “in sillico” del ascaridol con nueve neurotransmisores

Intestinal parasites, such as Ascaris lumbricoides, Trichuris trichiura, Giardia lamblia, and Ancylostoma duodenale, inhabit the human digestive tract and affect health by consuming nutrients from their hosts. The objective of this investigation was to study the in-silico quantum chemical interactions of ascaridole (ACRD) with neurotransmitters. The HOMO, LUMO, and multipole electrostatic potential (EPP) were characterized and calculated using HyperChem software; these calculations yielded the electron transfer coefficient (ETC) by dividing the absolute value of the difference in the HOMO and LUMO values by the absolute value of the difference in each of the resulting EP vectors. As a result, we observed that ACRD attacks neurotransmitters at the quantum well level 7, acting as a serotonin reducer or antioxidant. This phenomenon indicates that this substance is not lethal to Ascaris lumbricoides. It was concluded that ACRD interacts with the neurotransmitters of Ascaris lumbricoides, narcotizing them. Furthermore, there are at least eight interactions between ACRD and the neurotransmitters of Ascaris lumbricoides, resulting in chemical equilibrium. In general, ACRD is "nonlethal" to Ascaris lumbricoides at low or medium doses, which is why they are expelled alive from patients.