# Chemical Reactivity Parameters to Analyze Psychedelics: How Do We Explain the Potency of the Drugs?

## TL;DR

This paper explores how chemical properties like electron acceptance and global softness relate to the potency of psychedelic drugs.

## Contribution

The study introduces chemical reactivity parameters to explain the varying potency of serotonergic psychedelic compounds.

## Key findings

- The most potent psychedelic is also the best electron acceptor.
- Molecules with higher global softness are more potent and polarizable.

## Abstract

Psychedelics are psychoactive substances that produce
changes in
thoughts and feelings and modifications in perceptions of reality.
The most potent psychedelic is also the first semisynthetic hallucinogen
(lysergic acid diethylamide). Psychedelics have been investigated
for decades because of their potential therapeutic effects in the
treatment of neuropsychiatric diseases and also because these drugs
are useful in controlling addictions to other substances. In this
investigation, we analyze 27 psychedelic molecules. These compounds
are serotonergic psychedelics; that is, they are serotonin agonists.
We analyze the electron transfer properties to better understand the
mechanism of action of these substances. We found that the electron
acceptance capacity is related to the potency of the drugs: the best
electron acceptor is also the most potent drug. We also used global
softness as a parameter of reactivity. Molecules with greater global
softness are more polarizable and also have greater potency. These
results are useful to continue our understanding of the mechanism
of action of psychotropic drugs.