Chemogenomics knowledgebase and systems pharmacology for hallucinogen target identification—Salvinorin A as a case study

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• 作者：Xiaomeng Xu^a ; ^b ; ^c ; ¹ ; Shifan Ma^a ; ^b ; ^c ; ¹ ; Zhiwei Feng^a ; ^b ; ^c ; ¹ ; Guanxing Hu^a ; ^b ; ^c ; Lirong Wang^a ; ^b ; ^c ; ^{liw30@pitt.edu} ; Xiang-Qun Xie ; MBA ; Ph.D^a ; ^b ; ^c ; ^d ; ^{xix15@pitt.edu}
• 关键词：Hallucinogen ; Salvinorin A ; Drug abuse ; Chemogenomics database ; Target identification ; Systems pharmacology
• 刊名：Journal of Molecular Graphics and Modelling
• 出版年：2016
• 出版时间：November 2016
• 年：2016
• 卷：70
• 期：Complete
• 页码：284-295
• 全文大小：4668 K
• 卷排序：70

文摘

A comprehensive hallucinogenic-specific knowledgebase was established for research purpose. The knowledge and data for hallucinogens, their corresponding targets, and pathways had been collected to build a comprehensive database, which was also implemented with our in house computational tools for target identification and compound screening research. Salvinorin A was predicted to act on not only kappa opioid receptor, but also muscarinic acetylcholine receptor, dopamine receptor, and cannabinoid receptors. The pathological laughing side effect of salvinorin A, which haven’t been reported from other kappa opioid receptor agonists, could be blamed to its modulation on dopamine receptor 2 or muscarinic acetylcholine receptor 2.