AUTHOR=Agour Abdelkrim , Mssillou Ibrahim , Allali Aimad , Chebaibi Mohamed , El Abdali Youness , El Barnossi Azeddin , Bin Jardan Yousef A. , Wondmie Gezahign Fentahun , Nafidi Hiba-Allah , Bourhia Mohammed , Bari Amina , Lyoussi Badiaa , Derwich Elhoussine 

TITLE=Pharmacological activities of chemically characterized essential oils from Haplophyllum tuberculatum (Forssk.)

JOURNAL=Frontiers in Chemistry

VOLUME=11

YEAR=2023

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2023.1251449

DOI=10.3389/fchem.2023.1251449

ISSN=2296-2646

ABSTRACT=<p>The present work aimed at characterizing the phytochemical composition of <italic>Haplophyllum tuberculatum</italic> essential oil (HTEO), assessing its antifungal activity against various fungal strains, evaluating its insecticidal and repulsive properties against <italic>Callosobruchus maculatus</italic>, and determine its antioxidant capacity. To this end, Gas chromatography-mass spectrometry analysis detected 34 compounds in HTEO, with <italic>β</italic>-Caryophyllene being the major constituent (36.94%). HTEO demonstrated predominantly modest antifungal effects, however, it sustains notable activity, particularly against <italic>Aspergillus flavus</italic>, with an inhibition rate of 76.50% ± 0.60%. Minimum inhibitory concentrations ranged from 20.53 ± 5.08 to 76.26 ± 5.08 mg/mL, effectively inhibiting fungal growth. Furthermore, the antifungal, and antioxidant activities of HTEO were evaluated <italic>in silico</italic> against the proteins <italic>Aspergillus flavus</italic> FAD glucose dehydrogenase, and beta-1,4-endoglucanase from <italic>Aspergillus niger</italic>, NAD(P)H Oxidase. Moreover, HTEO displayed strong insecticidal activity against <italic>C. maculatus</italic>, with contact and inhalation tests yielding LC<sub>50</sub> values of 30.66 and 40.28 μL/100g, respectively, after 24 h of exposure. A dose of 5 μL/100g significantly reduced oviposition (48.85%) and inhibited emergence (45.15%) compared to the control group. Additionally, HTEO exhibited a high total antioxidant capacity of 758.34 mg AAE/g EO, highlighting its antioxidant potential. <italic>Insilico</italic> results showed that the antifungal activity of HTEO is mostly attributed to <italic>γ</italic>-Cadinene and p-Cymen-7-ol, while antioxidant is attributed to <italic>α</italic>-Terpinyl isobutyrate displayed. Overall, HTEO offers a sustainable and environmentally friendly alternative to synthetic products used to manage diseases.</p>