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Biological targets of 92 alkaloids isolated from Papaver genus: a perspective based on in silico predictions
Medicinal Chemistry Research ( IF 2.6 ) Pub Date : 2020-11-21 , DOI: 10.1007/s00044-020-02663-9
Omer Bayazeid , Funda N. Yalçın

With its high level of phytochemical and botanical variability, Papaver genus contains several species with many subspecies yielding more than 170 alkaloids. Papaver species have been used as sedative, hypnotic, analgesic, and antidepressant. The aim of this study is to shed light on the structure–activity relationship of alkaloids isolated from Papaver genus. All alkaloids isolated from Papaver genus are listed according to their plant source. We identified the molecular targets of the 92 alkaloids from 10 different types of Papaver alkaloids (simple isoquinoline, benzylisoquinoline, proaporphine, aporphine, morphinane, promorphinane, protoberberine, phthalideisoquinoline, protopine, and rhoeadine) by using cheminformatic approach (Swiss Model). Hierarchical clustering heatmaps were generated by R programming language to visualize the in silico results. The research finding of this study could act as a guiding source for future natural product-based drug discovery.



中文翻译:

从罂粟属中分离出的92种生物碱的生物学目标:基于计算机预测的观点

罂粟属植物具有很高的植物化学和植物变异性,它包含几个具有许多亚种的物种,产生170多种生物碱。罂粟已被用作镇静剂,催眠药,止痛药和抗抑郁药。这项研究的目的是阐明分离自罂粟属的生物碱的构效关系。从罂粟属中分离的所有生物碱均根据其植物来源列出。我们从10种不同类型的罂粟中鉴定了92种生物碱的分子靶标使用化学信息学方法(瑞士模式),将生物碱(简单的异喹啉,苄基异喹啉,普罗帕啡,阿福啡,吗啡烷,吗啡烷,原小ber碱,邻苯二甲酰喹啉,普鲁托品和露华定)用于生物碱。用R编程语言生成层次聚类热图,以可视化计算机模拟结果。这项研究的研究发现可以作为未来基于天然产物的药物发现的指导来源。

更新日期:2020-11-22
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