Martínez Ana, Caballero Alexis, Ramírez Rodrigo, Perez-Sanchez Emiliano, Quevedo Esperanza, Salvador-García Diana
Departamento de Materiales de Baja Dimensionalidad, Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior S. N. Ciudad Universitaria, CDMX, Mexico CP 04510, Mexico.
ACS Omega. 2024 Sep 11;9(38):39965-39971. doi: 10.1021/acsomega.4c05726. eCollection 2024 Sep 24.
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.
致幻剂是一类精神活性物质，可引起思想和情感的变化以及对现实感知的改变。效力最强的致幻剂也是第一种半合成致幻剂（麦角酸二乙酰胺）。由于致幻剂在治疗神经精神疾病方面的潜在治疗作用，以及这些药物在控制对其他物质的成瘾方面有用，因此已经对其进行了数十年的研究。在这项研究中，我们分析了27种致幻剂分子。这些化合物是血清素能致幻剂，也就是说，它们是血清素激动剂。我们分析电子转移性质以更好地理解这些物质的作用机制。我们发现电子接受能力与药物的效力有关：最佳电子受体也是效力最强的药物。我们还使用全局软度作为反应性参数。全局软度较大的分子更具极化性，效力也更强。这些结果有助于我们继续理解精神药物的作用机制。
