{"title":"精神药物的光降解:对疗效、安全性和药物性质的影响","authors":"Ana-Maria Udrea , Catalin Buiu , Angela Staicu , Aurelia Nicoleta Dabu , Speranta Avram","doi":"10.1016/j.compbiomed.2025.110115","DOIUrl":null,"url":null,"abstract":"<div><div>Antipsychotics and antidepressants are essential psychotropic medications used for treating various mental health conditions such as depression, schizophrenia, and bipolar disorder. However, when exposed to light, these compounds are susceptible to photodegradation, potentially changing their biological activity and safety profiles. This study evaluates the pharmacokinetic and pharmacodynamic properties of several photoproducts derived from 13 psychotropic drugs. We used computational methods to predict the biological activity, toxicity, and drug-like properties of the photoproducts. Our results indicate that photoproducts such as amisulpride_TP166, TP246, quetiapine_D4, and quetiapine_PH1 show enhanced biological affinity and ADME-Tox profiles similar to their parent compounds, suggesting possible therapeutic advantages in their interaction with targeted receptors. However, some of the photocompounds exhibit lower predicted binding affinities when interacting with those receptors compared to their parent compounds, indicating a possible loss of function. These findings emphasize the need for further investigation into the effects and safety of drug photoproducts, particularly in the context of long-term pharmacotherapy.</div></div>","PeriodicalId":10578,"journal":{"name":"Computers in biology and medicine","volume":"191 ","pages":"Article 110115"},"PeriodicalIF":7.0000,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Photodegradation of psychotropic medications: Impact on efficacy, safety, and drug properties\",\"authors\":\"Ana-Maria Udrea , Catalin Buiu , Angela Staicu , Aurelia Nicoleta Dabu , Speranta Avram\",\"doi\":\"10.1016/j.compbiomed.2025.110115\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Antipsychotics and antidepressants are essential psychotropic medications used for treating various mental health conditions such as depression, schizophrenia, and bipolar disorder. However, when exposed to light, these compounds are susceptible to photodegradation, potentially changing their biological activity and safety profiles. This study evaluates the pharmacokinetic and pharmacodynamic properties of several photoproducts derived from 13 psychotropic drugs. We used computational methods to predict the biological activity, toxicity, and drug-like properties of the photoproducts. Our results indicate that photoproducts such as amisulpride_TP166, TP246, quetiapine_D4, and quetiapine_PH1 show enhanced biological affinity and ADME-Tox profiles similar to their parent compounds, suggesting possible therapeutic advantages in their interaction with targeted receptors. However, some of the photocompounds exhibit lower predicted binding affinities when interacting with those receptors compared to their parent compounds, indicating a possible loss of function. These findings emphasize the need for further investigation into the effects and safety of drug photoproducts, particularly in the context of long-term pharmacotherapy.</div></div>\",\"PeriodicalId\":10578,\"journal\":{\"name\":\"Computers in biology and medicine\",\"volume\":\"191 \",\"pages\":\"Article 110115\"},\"PeriodicalIF\":7.0000,\"publicationDate\":\"2025-04-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computers in biology and medicine\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0010482525004664\",\"RegionNum\":2,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computers in biology and medicine","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010482525004664","RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOLOGY","Score":null,"Total":0}
Photodegradation of psychotropic medications: Impact on efficacy, safety, and drug properties
Antipsychotics and antidepressants are essential psychotropic medications used for treating various mental health conditions such as depression, schizophrenia, and bipolar disorder. However, when exposed to light, these compounds are susceptible to photodegradation, potentially changing their biological activity and safety profiles. This study evaluates the pharmacokinetic and pharmacodynamic properties of several photoproducts derived from 13 psychotropic drugs. We used computational methods to predict the biological activity, toxicity, and drug-like properties of the photoproducts. Our results indicate that photoproducts such as amisulpride_TP166, TP246, quetiapine_D4, and quetiapine_PH1 show enhanced biological affinity and ADME-Tox profiles similar to their parent compounds, suggesting possible therapeutic advantages in their interaction with targeted receptors. However, some of the photocompounds exhibit lower predicted binding affinities when interacting with those receptors compared to their parent compounds, indicating a possible loss of function. These findings emphasize the need for further investigation into the effects and safety of drug photoproducts, particularly in the context of long-term pharmacotherapy.
期刊介绍:
Computers in Biology and Medicine is an international forum for sharing groundbreaking advancements in the use of computers in bioscience and medicine. This journal serves as a medium for communicating essential research, instruction, ideas, and information regarding the rapidly evolving field of computer applications in these domains. By encouraging the exchange of knowledge, we aim to facilitate progress and innovation in the utilization of computers in biology and medicine.