Biological targets of 92 alkaloids isolated from Papaver genus: a perspective based on in silico predictions
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Medicinal Chemistry Research https://doi.org/10.1007/s00044-020-02663-9
ORIGINAL RESEARCH
Biological targets of 92 alkaloids isolated from Papaver genus: a perspective based on in silico predictions Omer Bayazeid
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Funda N. Yalçın1
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Received: 10 October 2020 / Accepted: 3 November 2020 © Springer Science+Business Media, LLC, part of Springer Nature 2020
Abstract 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. Keywords Papaver Alkaloids In silico Neuroactivity Phytochemistry Traditional usage ●
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Introduction Papaver (Papaveraceae) is a genus with great importance in the therapy nowadays and its habitat throughout East Europe, Middle East, and USA. Papaver species are divided into more than ten sections (Argemonidium, Carinata, Glauca, Horrida, Meconella, Miltantha, Oxytona, Papaver, Pilosa, and Rhoeadium) [1]. They are grouped according to their morphological characteristics (e.g., by capsule shape, markings, and petal coloring) and species can be distinguished by chemical and cytological techniques [2]. There are more than 110 Papaver species distributed around the world [3]. Papaver species have been used as calmative, antitussive, and also to treat several diseases such inflammation and sleep disorders [4, 5]. Small molecules can exert a phenotypic effect by targeting several molecular targets
Supplementary information The online version of this article (https:// doi.org/10.1007/s00044-020-02663-9) contains supplementary material, which is available to authorized users. * Omer Bayazeid [email protected] 1
Department of Pharmacognosy, Faculty of Pharmacy, Hacettepe University, Sihhiye, 06100 Ankara, Turkey
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(circulating proteins, receptors, and/or enzymes). Practically it would not be possible to test each small molecule for every potential target. For this reason, cheminformatic approach such as Swiss Model can be used to fill this gap and identify the possible molecular targets for each small molecule [6]. Swiss Model estimates the most probable molecular targets of the small molecules. The target prediction is obtained by 2D and 3D similarit
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