Phytochemical Identification of Major Compounds From Leaves of Nicotiana glauca Graham (Solanaceae) Extracts Using LC-ESI-MS/MS and Molecular Docking Analysis.

Nicotiana glauca Graham (Solanaceae), also known as tree tobacco, naturally grows in dry, arid regions of North America, Africa, and Europe. It is recognized for both toxic and medicinal properties. This study aimed to analyze the metabolic profile of crude leaf extracts from N. glauca using liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS). A total of 16 different compounds were identified, including five alkaloids, two coumarins, two flavonoids, and two monoterpenes, as well as four hydroxycinnamic acid derivatives and one homoserine lactone. Some of these compounds were reported for the first time in N. glauca. According to the available literature, this is the first study to report the presence of puromycin in the genus Nicotiana. In addition, molecular docking studies were carried out to investigate the active site of human peroxiredoxin 5 (PDB ID: 1HD2), aiming to elucidate the potential interactions between the identified compounds and this receptor. These results suggest that N. glauca could be a good source of natural chemicals for future medical or nutritional research.