Chemogenomics knowledgebase and systems pharmacology for hallucinogen target identification-Salvinorin A as a case study.
Xiaomeng Xu, Shifan Ma, Zhiwei Feng, Guanxing Hu, Lirong Wang, Xiang-Qun Xie
Journal of molecular graphics & modelling November 1, 2016 DOI: 10.1016/j.jmgm.2016.08.001 (opens in new tab)
Study at a glance
AI-extracted from the abstract| Characteristics | Database construction with computational prediction and case study Case report Peer reviewed |
|---|---|
| Topics | Salvia divinorum |
| Keywords | Chemogenomics database Systems pharmacology Hallucinogen therapy: hallucinogen Therapeutic development Treating drug abuse Precise target identification Molecular level Protein targets Methodology Molecular mechanisms: mechanisms Interaction |
| Citations | 19 |
| Key findings | The hallucinogen-specific chemogenomics database and computational tools predicted four novel protein targets for salvinorin A. |
Abstract
Drug abuse is a serious problem worldwide. Recently, hallucinogens have been reported as a potential preventative and auxiliary therapy for substance abuse. However, the use of hallucinogens as a drug abuse treatment has potential risks, as the fundamental mechanisms of hallucinogens are not clear. So far, no scientific database is available for the mechanism research of hallucinogens. We constructed a hallucinogen-specific chemogenomics database by collecting chemicals, protein targets and pathways closely related to hallucinogens. This information, together with our established computational chemogenomics tools, such as TargetHunter and HTDocking, provided a one-step solution for the mechanism study of hallucinogens. We chose salvinorin A, a potent hallucinogen extracted from the plant Salvia divinorum, as an example to demonstrate the usability of our platform. With the help of HTDocking program, we predicted four novel targets for salvinorin A, including muscarinic acetylcholine receptor 2, cannabinoid receptor 1, cannabinoid receptor 2 and dopamine receptor 2. We looked into the interactions between salvinorin A and the predicted targets. The binding modes, pose and docking scores indicate that salvinorin A may interact with some of these predicted targets. Overall, our database enriched the information of systems pharmacological analysis, target identification and drug discovery for hallucinogens.
Comparable studies
Other case reports and case series on salvia divinorum, most cited first.
| Study | Year | Design | Participants |
|---|---|---|---|
| Salvia divinorum: an hallucinogenic mint which might become a new recreational drug in Switzerland. Salvia divinorum specimens seized in Switzerland | 2000 | Case study | |
| Antidepressant Effects of the Herb Salvia Divinorum: A Case Report 26-year-old woman with history of depression | 2001 | Case study | n = 1 |
| A Report of Nausea and Vomiting with Discontinuation of Chronic Use of Salvia divinorum 51-year-old Caucasian woman | 2015 | Case study | n = 1 |
| Prolonged hallucinations and dissociative self mutilation following use ofSalvia divinorumin a bipolar adolescent girl A 17-year-old girl with bipolar disorder | 2010 | Case study | n = 1 |
| Case series: Salvia divinorum as a potential addictive hallucinogen. Patients presenting with an enduring and pervasive pattern of salvia use | 2018 | Case study | n = 2 |
Citations in the library
Cited by 3
- Bedside to bench: the outlook for psychedelic research Frontiers in Pharmacology October 2, 2023
- Cutting-Edge Search for Safer Opioid Pain Relief: Retrospective Review of Salvinorin A and Its Analogs. Frontiers in Psychiatry 2019
- Salvinorin A Does Not Affect Seizure Threshold in Mice Molecules March 7, 2020
Cites 18
- Salvinorin A: a potent naturally occurring nonnitrogenous kappa opioid selective agonist. Proceedings of the National Academy of Sciences September 3, 2002
- Ayahuasca-Assisted Therapy for Addiction: Results from a Preliminary Observational Study in Canada Current Drug Abuse Reviews June 1, 2013
- Salvinorin A: the "magic mint" hallucinogen finds a molecular target in the kappa opioid receptor. TIPS - Trends in Pharmacological Sciences March 1, 2003
- Dose-related effects of salvinorin A in humans: dissociative, hallucinogenic, and memory effects. Psychopharmacology March 1, 2013
- Neuropharmacology of the naturally occurring kappa-opioid hallucinogen salvinorin A. Pharmacological Reviews June 1, 2011
and 13 more in the library