Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine‐like Cathinones at the Dopamine Transporter
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Informatics"
DOI: 10.1002/minf.201600094
Abstract: The dopamine and serotonin transporter proteins (DAT, SERT) play a vital role in behavior and mental illness. Although their substrate transport has been studied extensively, the molecular basis of their selectivity is not completely understood… read more here.
Keywords: dat sert; combined simulation; simulation mutation; mutation studies ... See more keywords
Decoding the Structure of Abuse Potential for New Psychoactive Substances: Structure-Activity Relationships for Abuse-Related Effects of 4-Substituted Methcathinone Analogs.
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DOI: 10.1007/7854_2016_18
Abstract: Many cathinone analogs act as substrates or inhibitors at dopamine, norepinephrine, and serotonin transporters (DAT, NET, SERT, respectively). Drug selectivity at DAT vs. SERT is a key determinant of abuse potential for monoamine transporter substrates… read more here.
Keywords: dat sert; substituted methcathinone; structure activity; structure ... See more keywords
Machine Learning Analysis of Cocaine Addiction Informed by DAT, SERT, and NET-Based Interactome Networks.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00002
Abstract: Cocaine addiction is a psychosocial disorder induced by the chronic use of cocaine and causes a large number of deaths around the world. Despite decades of effort, no drugs have been approved by the Food… read more here.
Keywords: machine learning; cocaine addiction; dat sert; addiction ... See more keywords