Solanum incanum L. ethanolic extract: phytochemical profile, multiple target bioactivities and in silico properties
6 affiliations
- 1Department of Biology, College of Science, University of Ha’il
- 2Department of Chemistry, Faculty of Science, Al-Baha University
- 3Laboratory of Biomathematics LR22ES01, Faculty of Sciences of Sfax
- 4Laboratory of Toxicology and Environmental Health, LR17ES06, Sciences Faculty of Sfax, University of Sfax
- 5Department of Chemistry, College of Science, University of Ha’il
- 6Department of Pharmacy, University of Salerno
Abstract
Plant-based medicine offers a rich source of bioactive compounds for modern drug discovery. Building on this potential, this study aimed to investigate the phytochemical profile in detail and the biological activities of ethanolic extract from Solanum incanum L. aerial parts (EESIAP). Untargeted metabolomics analysis using UHPLC-ESI-QTOF-MS/MS operated in positive and negative modes led to the annotation of 44 compounds mainly belonging to polyphenolic classes, including phenolic acids, flavonols, anthocyanidins, and coumarins. The extract revealed high total phenolic and flavonoid contents (46.83 ± 1.16 mg GAE/g DE, 28.62 ± 0.41 mg RuE/g DE, respectively) correlating with significant bioactivities. When compared with the respective standards, the EESIAP exhibited moderate to weak antioxidant activity (DPPH IC50 = 356.45 ± 11.50 µg/mL; ABTS IC50 = 947.37 ± 14.80 µg/mL; FRAP EC50 = 171.28 ± 0.04 µmoles Trolox/g DE). It also demonstrated notable α-amylase inhibitory and anti-inflammatory potentials (IC50 = 391.97 ± 6.22 µg/mL and 294.27 ± 4.55 µg/mL, respectively). Molecular docking analysis of kaempferol-7-O-neohesperidoside, luteolin-3’,7-di-O-glucoside, and cyanidin-3-O-rutinoside, supported by 200 ns molecular dynamics simulations, demonstrated strong binding affinities along with stable protein–ligand interactions over time. Density functional theory (DFT) calculations further indicated favorable electronic characteristics, while the predicted pharmacokinetic profiles were within acceptable ranges. Collectively, these findings suggest that these compounds merit further investigation as potential modulators of oxidative stress, inflammatory signaling, and glucose imbalance pathways. Collectively, these three bioactive flavonoid glycosides emerge as promising candidates for further optimization and in vitro/in vivo validation to target key molecular pathways involved in anti-inflammatory and antidiabetic activities.
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BibTeX
@article{snoussi2026solanum,
title = {{Solanum incanum L. ethanolic extract: phytochemical profile, multiple target bioactivities and in silico properties}},
author = {Mejdi Snoussi and Ines El Mannoubi and Mongi Saoudi and Awatef Elwej and Qusai Alsenani and Mamdouh Alshammari and Mohd Adnan and Eid M. S. Azzam and Arif Jamal Siddiqui and Flavio Polito and Vincenzo De Feo and Emira Noumi and Adel Kadri},
journal = {Scientific Reports},
year = {2026},
month = jul,
doi = {10.1038/s41598-026-61015-6},
url = {https://doi.org/10.1038/s41598-026-61015-6},
note = {CC BY},
}
RIS
TY - JOUR
TI - Solanum incanum L. ethanolic extract: phytochemical profile, multiple target bioactivities and in silico properties
AU - Mejdi Snoussi
AU - Ines El Mannoubi
AU - Mongi Saoudi
AU - Awatef Elwej
AU - Qusai Alsenani
AU - Mamdouh Alshammari
AU - Mohd Adnan
AU - Eid M. S. Azzam
AU - Arif Jamal Siddiqui
AU - Flavio Polito
AU - Vincenzo De Feo
AU - Emira Noumi
AU - Adel Kadri
PY - 2026
DA - 2026/07/01
JO - Scientific Reports
DO - 10.1038/s41598-026-61015-6
UR - https://doi.org/10.1038/s41598-026-61015-6
AB - Plant-based medicine offers a rich source of bioactive compounds for modern drug discovery. Building on this potential, this study aimed to investigate the phytochemical profile in detail and the biological activities of ethanolic extract from Solanum incanum L. aerial parts (EESIAP). Untargeted metabolomics analysis using UHPLC-ESI-QTOF-MS/MS operated in positive and negative modes led to the annotation of 44 compounds mainly belonging to polyphenolic classes, including phenolic acids, flavonols, anthocyanidins, and coumarins. The extract revealed high total phenolic and flavonoid contents (46.83 ± 1.16 mg GAE/g DE, 28.62 ± 0.41 mg RuE/g DE, respectively) correlating with significant bioactivities. When compared with the respective standards, the EESIAP exhibited moderate to weak antioxidant activity (DPPH IC50 = 356.45 ± 11.50 µg/mL; ABTS IC50 = 947.37 ± 14.80 µg/mL; FRAP EC50 = 171.28 ± 0.04 µmoles Trolox/g DE). It also demonstrated notable α-amylase inhibitory and anti-inflammatory potentials (IC50 = 391.97 ± 6.22 µg/mL and 294.27 ± 4.55 µg/mL, respectively). Molecular docking analysis of kaempferol-7-O-neohesperidoside, luteolin-3’,7-di-O-glucoside, and cyanidin-3-O-rutinoside, supported by 200 ns molecular dynamics simulations, demonstrated strong binding affinities along with stable protein–ligand interactions over time. Density functional theory (DFT) calculations further indicated favorable electronic characteristics, while the predicted pharmacokinetic profiles were within acceptable ranges. Collectively, these findings suggest that these compounds merit further investigation as potential modulators of oxidative stress, inflammatory signaling, and glucose imbalance pathways. Collectively, these three bioactive flavonoid glycosides emerge as promising candidates for further optimization and in vitro/in vivo validation to target key molecular pathways involved in anti-inflammatory and antidiabetic activities.
SN - 2045-2322
ER -