AUTHOR=El-Nashar Heba A. S. , Al-Qaaneh Ayman M. , Bhuia Md. Shimul , Chowdhury Raihan , Abdel-Maksoud Mostafa A. , Ebaid Hossam , Malik Abdul , Torequl Islam Muhammad , Aufy Mohammed , Elhawary Esraa A. 

TITLE=UPLC-ESI/MSn metabolic profiling of Cedrela odorata L. and Toona ciliata M. Roem and in vitro investigation of their anti-diabetic activity supported with molecular docking studies

JOURNAL=Frontiers in Chemistry

VOLUME=Volume 12 - 2024

YEAR=2024

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2024.1462309

DOI=10.3389/fchem.2024.1462309

ISSN=2296-2646

ABSTRACT=Genus Cedrela is one of the phytochemically rich genera of Family Meliaceae. In this study, two Cedrela species, namely, Cedrela odorata and Toona ciliata M. Roem (formerly Cedrela toona) were selected for in-depth phytochemical profiling with the aid of UPLC-ESI/MS analysis followed by evaluation of their anti-diabetic potential through assessment of in vitro α-amylase and α-glucosidase inhibitory effects, alongside the molecular docking studies on these target enzymes. The UPLC-ESI/MS n analysis led to the identification and quantification of fifty-five metabolites with their fragmentation patterns for the first time for these two species. Flavonoids represented the main identified class followed by phenylpropanoids, terpenes, tannins, and others.The two species showed potent enzyme inhibition where C. odorata and C. toona significantly inhibited α-amylase (IC50=4.83±0.01 and 3.50±0.03 µg/mL), respectively, compared to pioglitazone (IC50=2.17±0.23 µg/mL) while their α-glycosidase inhibitory properties were also potent with (IC50=7.17±0.01 and 6.50±0.69 μg/mL), respectively, compared to acarbose (IC50=4.83±1.02 μg/mL). The enzyme inhibitory activities were further confirmed by in silico molecular docking of the main identified components with the respective binding sockets in both α-amylase and α-glycosidase enzymes. These promising results could pave the way for a new discovery of natural phytoconstituents with potent anti-diabetic activity.