Cargando…

Chemical Composition of Ducrosia flabellifolia L. Methanolic Extract and Volatile Oil: ADME Properties, In Vitro and In Silico Screening of Antimicrobial, Antioxidant and Anticancer Activities

In the present study, the chemical composition of the volatile oil and methanolic extract from Ducrosia flabellifolia Boiss. was investigated. The antimicrobial, antioxidant, and anticancer activities of the methanolic extract from D. flabellifolia aerial parts were screened using experimental and c...

Descripción completa

Detalles Bibliográficos
Autores principales: Snoussi, Mejdi, Lajimi, Ramzi Hadj, Badraoui, Riadh, Al-Reshidi, Mousa, Abdulhakeem, Mohammad A., Patel, Mitesh, Siddiqui, Arif Jamal, Adnan, Mohd, Hosni, Karim, De Feo, Vincenzo, Polito, Flavio, Kadri, Adel, Noumi, Emira
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9866066/
https://www.ncbi.nlm.nih.gov/pubmed/36676989
http://dx.doi.org/10.3390/metabo13010064
_version_ 1784875996586967040
author Snoussi, Mejdi
Lajimi, Ramzi Hadj
Badraoui, Riadh
Al-Reshidi, Mousa
Abdulhakeem, Mohammad A.
Patel, Mitesh
Siddiqui, Arif Jamal
Adnan, Mohd
Hosni, Karim
De Feo, Vincenzo
Polito, Flavio
Kadri, Adel
Noumi, Emira
author_facet Snoussi, Mejdi
Lajimi, Ramzi Hadj
Badraoui, Riadh
Al-Reshidi, Mousa
Abdulhakeem, Mohammad A.
Patel, Mitesh
Siddiqui, Arif Jamal
Adnan, Mohd
Hosni, Karim
De Feo, Vincenzo
Polito, Flavio
Kadri, Adel
Noumi, Emira
author_sort Snoussi, Mejdi
collection PubMed
description In the present study, the chemical composition of the volatile oil and methanolic extract from Ducrosia flabellifolia Boiss. was investigated. The antimicrobial, antioxidant, and anticancer activities of the methanolic extract from D. flabellifolia aerial parts were screened using experimental and computational approaches. Results have reported the identification of decanal (28.31%) and dodecanal (16.93%) as major compounds in the essential oil obtained through hydrodistillation. Farnesyl pyrophosphate, Methyl 7-desoxypurpurogallin-7-carboxylate trimethyl ether, Dihydro-Obliquin, Gummiferol, 2-Phenylaminoadenosine, and 2,4,6,8,10-dodecapentaenal, on the other hand, were the dominant compounds in the methanolic extract. Moreover, the tested extract was active against a large collection of bacteria and yeast strains with diameter of growth inhibition ranging from 6.67 ± 0.57 mm to 17.00 ± 1.73 mm, with bacteriostatic and fungicidal activities against almost all tested microorganisms. In addition, D. flabellifolia methanolic extract was dominated by phenolic compounds (33.85 ± 1.63 mg of gallic acid equivalent per gram of extract) and was able to trap DPPH• and ABTS•+ radicals with IC(50) about 0.05 ± 0 mg/mL and 0.105 ± 0 mg/mL, respectively. The highest percentages of anticancer activity were recorded at 500 µg/mL for all cancer cell lines with IC(50) about 240. 56 µg/mL (A-549), 202.94 µg/mL (HCT-116), and 154.44 µg/mL (MCF-7). The in-silico approach showed that D. flabellifolia identified compounds bound 1HD2, 2XCT, 2QZW, and 3LN1 with high affinities, which together with molecular interactions and the bond network satisfactorily explain the experimental results using antimicrobial, antioxidant, and anticancer assays. The obtained results highlighted the ethnopharmacological properties of the rare desertic D. flabellifolia plant species growing wild in Hail region (Saudi Arabia).
format Online
Article
Text
id pubmed-9866066
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-98660662023-01-22 Chemical Composition of Ducrosia flabellifolia L. Methanolic Extract and Volatile Oil: ADME Properties, In Vitro and In Silico Screening of Antimicrobial, Antioxidant and Anticancer Activities Snoussi, Mejdi Lajimi, Ramzi Hadj Badraoui, Riadh Al-Reshidi, Mousa Abdulhakeem, Mohammad A. Patel, Mitesh Siddiqui, Arif Jamal Adnan, Mohd Hosni, Karim De Feo, Vincenzo Polito, Flavio Kadri, Adel Noumi, Emira Metabolites Article In the present study, the chemical composition of the volatile oil and methanolic extract from Ducrosia flabellifolia Boiss. was investigated. The antimicrobial, antioxidant, and anticancer activities of the methanolic extract from D. flabellifolia aerial parts were screened using experimental and computational approaches. Results have reported the identification of decanal (28.31%) and dodecanal (16.93%) as major compounds in the essential oil obtained through hydrodistillation. Farnesyl pyrophosphate, Methyl 7-desoxypurpurogallin-7-carboxylate trimethyl ether, Dihydro-Obliquin, Gummiferol, 2-Phenylaminoadenosine, and 2,4,6,8,10-dodecapentaenal, on the other hand, were the dominant compounds in the methanolic extract. Moreover, the tested extract was active against a large collection of bacteria and yeast strains with diameter of growth inhibition ranging from 6.67 ± 0.57 mm to 17.00 ± 1.73 mm, with bacteriostatic and fungicidal activities against almost all tested microorganisms. In addition, D. flabellifolia methanolic extract was dominated by phenolic compounds (33.85 ± 1.63 mg of gallic acid equivalent per gram of extract) and was able to trap DPPH• and ABTS•+ radicals with IC(50) about 0.05 ± 0 mg/mL and 0.105 ± 0 mg/mL, respectively. The highest percentages of anticancer activity were recorded at 500 µg/mL for all cancer cell lines with IC(50) about 240. 56 µg/mL (A-549), 202.94 µg/mL (HCT-116), and 154.44 µg/mL (MCF-7). The in-silico approach showed that D. flabellifolia identified compounds bound 1HD2, 2XCT, 2QZW, and 3LN1 with high affinities, which together with molecular interactions and the bond network satisfactorily explain the experimental results using antimicrobial, antioxidant, and anticancer assays. The obtained results highlighted the ethnopharmacological properties of the rare desertic D. flabellifolia plant species growing wild in Hail region (Saudi Arabia). MDPI 2022-12-31 /pmc/articles/PMC9866066/ /pubmed/36676989 http://dx.doi.org/10.3390/metabo13010064 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Snoussi, Mejdi
Lajimi, Ramzi Hadj
Badraoui, Riadh
Al-Reshidi, Mousa
Abdulhakeem, Mohammad A.
Patel, Mitesh
Siddiqui, Arif Jamal
Adnan, Mohd
Hosni, Karim
De Feo, Vincenzo
Polito, Flavio
Kadri, Adel
Noumi, Emira
Chemical Composition of Ducrosia flabellifolia L. Methanolic Extract and Volatile Oil: ADME Properties, In Vitro and In Silico Screening of Antimicrobial, Antioxidant and Anticancer Activities
title Chemical Composition of Ducrosia flabellifolia L. Methanolic Extract and Volatile Oil: ADME Properties, In Vitro and In Silico Screening of Antimicrobial, Antioxidant and Anticancer Activities
title_full Chemical Composition of Ducrosia flabellifolia L. Methanolic Extract and Volatile Oil: ADME Properties, In Vitro and In Silico Screening of Antimicrobial, Antioxidant and Anticancer Activities
title_fullStr Chemical Composition of Ducrosia flabellifolia L. Methanolic Extract and Volatile Oil: ADME Properties, In Vitro and In Silico Screening of Antimicrobial, Antioxidant and Anticancer Activities
title_full_unstemmed Chemical Composition of Ducrosia flabellifolia L. Methanolic Extract and Volatile Oil: ADME Properties, In Vitro and In Silico Screening of Antimicrobial, Antioxidant and Anticancer Activities
title_short Chemical Composition of Ducrosia flabellifolia L. Methanolic Extract and Volatile Oil: ADME Properties, In Vitro and In Silico Screening of Antimicrobial, Antioxidant and Anticancer Activities
title_sort chemical composition of ducrosia flabellifolia l. methanolic extract and volatile oil: adme properties, in vitro and in silico screening of antimicrobial, antioxidant and anticancer activities
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9866066/
https://www.ncbi.nlm.nih.gov/pubmed/36676989
http://dx.doi.org/10.3390/metabo13010064
work_keys_str_mv AT snoussimejdi chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT lajimiramzihadj chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT badraouiriadh chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT alreshidimousa chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT abdulhakeemmohammada chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT patelmitesh chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT siddiquiarifjamal chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT adnanmohd chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT hosnikarim chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT defeovincenzo chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT politoflavio chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT kadriadel chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities
AT noumiemira chemicalcompositionofducrosiaflabellifolialmethanolicextractandvolatileoiladmepropertiesinvitroandinsilicoscreeningofantimicrobialantioxidantandanticanceractivities