Chemoinformatic analysis of alkaloids isolated from Peganum genus

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Bayazeid O., Nasibova T.

MOLECULAR DIVERSITY, vol.26, no.4, pp.2257-2267, 2022 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 26 Issue: 4
  • Publication Date: 2022
  • Doi Number: 10.1007/s11030-021-10331-2
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, EMBASE, MEDLINE
  • Page Numbers: pp.2257-2267
  • Keywords: Peganum, Alkaloids, Neuroactivity, Phytochemistry, Traditional usage, ACETYLCHOLINESTERASE INHIBITORS, HARMALA L., EXTRACT, SEEDS, QUINOLINE, PLANTS, PART
  • Hacettepe University Affiliated: Yes


Peganum genus is rich with its high phytochemical and botanical variability. Peganum species have been used as a sedative, antitumor, analgesic and antidepressant. This paper aims to study the molecular diversity of Peganum genus and to shed more light on the structure-activity relationship of the alkaloids isolated from Peganum genus. All Peganum alkaloids were grouped according to their structural properties. A chemoinformatic approach (SwissTargetPrediction) was used to determine the molecular targets of these alkaloids. To analyze and visualize the results, R software was used to generate hierarchical clustering heatmaps. The results of this study can help researchers to better understand the structure-activity relationship of Peganum alkaloids and how substitution can affect the biological activity of those alkaloids.