Hi all, Our March Industry talk will be given by Chris Williams from the Chemical Computing Group on 11 March 2026 at 3pm UK time. Registration is free, please use the following link to register: https://events.teams.microsoft.com/event/4ffb729d-64b8-4f50-b170-ecc3441ea848@3f66361c-a87e-4158-8f61-99e82db3cac8
Title: Probing the Psychedelic Structure-Activity Space using Using Pharmacophore Models Abstract: Psychedelic compounds are powerful substances that alter cognitive and sensory functions. Classical psychedelic compounds such as LSD and psilocybin act primarily as agonists and partial agonists against the serotonin 5-HT2A/2B receptors. The overall hallucinogenic properties of psychedelic compounds are highly sensitive to small structural changes. Furthermore, these compounds are subject to cross-reactivity with other monoaminergic receptors and transporters. To probe the SAR space of serotonergic hallucinogens, we use pharmacophore models to propose the 3D electrostatic and steric requirements necessary for a molecule to exhibit psychedelic activity. The pharmacophore approach is compared to traditional SAR diagrams for conveying SAR information, and to docking for 3D placement of compounds in the receptor pocket. Best wishes, Sarah ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
