Attenuation of ovalbumin-induced inflammation and lung oxidative injury in asthmatic rats by Zingiber officinale extract: combined in silico and in vivo study on antioxidant potential, STAT6 and TNF-α pathways

Jedli, Olfa; Ben-Nasr, Hmed; Zammel, Nourhene; Rebaï, Tarek; Saoudi, Mongi; Elkahoui, Salem; Jamal, Arshad; Siddiqui, Arif Jamal; Sulieman, Abdelmoneim E.; Alreshidi, Mousa; Naı̈li, Houcine; Badraoui, Riadh

doi:10.1007/s13205-022-03249-5

Cited by 22 publications

(19 citation statements)

References 44 publications

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“…Most of the selected compounds were also found to not inhibit the cytochrome P450 isoforms (1A2, 2C19, 2C9, 2D6 and 3A4), which indicates the safe use of these compounds and the absence of any disruption in drug distribution and metabolism [ 29 , 30 , 31 ]. It was noticed that bioavailability scores ranged between 0.55 and 0.85 for the major D. flabellifolia studied compounds, which indicate acceptable bioavailability associated potential physiological activity of these phytochemicals as previously reported by several studies on natural and synthesized compounds [ 29 , 32 , 33 ]. The acceptable bioavailability scores were confirmed by the polygons illustrations.…”

Section: Discussionsupporting

confidence: 73%

“…The free binding energy ranged between –3.7 and –9.9 kcal/mol. It has been reported that variation in such score values is mainly linked to the 3D chemical structures of the ligands [ 29 , 30 , 31 , 32 , 33 ] The best binding score was predicted in 3LN1-Harderoporphyrin complex. The same compound (Harderoporphyrin) was also found to interact with each of 2XCT and 2QZW receptors with an interesting bound energy of –8.2 kcal/mol.…”

Section: Discussionmentioning

confidence: 99%

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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

et al. 2022

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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 IC50 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 IC50 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).

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Section: Discussionsupporting

confidence: 73%

Section: Discussionmentioning

confidence: 99%

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

et al. 2022

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“…Regardless of H-bonds that are commonly evaluated to assess the biological activities of the targeted compounds [ 29 , 31 , 32 ], a network of hydrophobic bonds was also found within the different studied complexes. This may contribute to the stability of the complexes as reported in several recent in silico studies [ 29 , 30 , 67 , 68 ]. Our results exhibit that all identified compounds in honey established one to eight H-bonds.…”

Section: Discussionmentioning

confidence: 67%

“…In this context, all honey compounds were found to be in close vicinity of all the targeted receptor with a distance of less than three Å. In fact, it exceeded 2.5 only in 3twj-compound seven with a distance equal to 2.556 Å. Ligand deep embedding was reported to enhance biological activity via increasing the complex stability [ 30 , 33 , 68 ]. Taken together, these molecular interactions justify that the antioxidant and anticancer potentials of the studied honey are thermodynamically possible, and this could explain the results obtained in vitro.…”

Section: Discussionmentioning

confidence: 99%

Phytochemical Composition, Antioxidant, and Anticancer Activities of Sidr Honey: In Vitro and In Silico Computational Investigation

Bouali

Hamadou

Badraoui

et al. 2022

Life

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Cancer is one of the major causes of death worldwide. The repercussions of conventional therapeutic approaches present a challenge in the delivery of new effective treatments. Thus, more attention is being awarded to natural products, mainly honey. Honey could be the basis for the development of new therapies for cancer patients. The aim of this study is to assess the phytochemical profiling, antioxidant, drug-likeness properties, and anticancer activity of Ziziphus honey (ZH) derived from the Hail region of Saudi Arabia. The phytochemical profiling using high resolution-liquid chromatography mass spectrometry (HR-LCMS) revealed 10 compounds belonging to several familial classes and one tripeptide. Potential antioxidant activity was noted as assessed by DPPH (IC50 0.670 mg/mL), ABTS (IC50 3.554 mg/mL), and β-carotene (IC50 > 5 mg/mL). The ZH exerted a notable cytotoxic effect in a dose-dependent manner against three cancer cell lines: lung (A549), breast (MCF-7), and colon (HCT-116), with respective IC50 values of 5.203%, 6.02%, and 7.257%. The drug-likeness investigation unveiled that most of the identified compounds meet Lipinski’s rule. The molecular docking analysis revealed interesting antioxidant and anticancer activities for most targeted proteins and supported the in vitro findings. The Miraxanthin-III compound exhibited the most stabilized interaction. This study provides deeper insights on ZH as prominent source of bioactive compounds with potent antioxidant and anticancer effects.

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“… Boufahja et al, 2014 , Hedfi et al, 2022 , Jedli et al, 2022 , Mhadhbi et al, 2022 , Zammel et al, 2022 …”

Section: Uncited Referencesmentioning

confidence: 99%

How toxic is the COVID-19 drug azithromycin in the presence of Posidonia oceanica? Toxicokinetics and experimental approach of meiobenthic nematodes from a metallically pristine area

Badraoui

Mannai

Siddiqui

et al. 2023

Environmental Pollution

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Attenuation of ovalbumin-induced inflammation and lung oxidative injury in asthmatic rats by Zingiber officinale extract: combined in silico and in vivo study on antioxidant potential, STAT6 and TNF-α pathways

Cited by 22 publications

References 44 publications

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

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

Phytochemical Composition, Antioxidant, and Anticancer Activities of Sidr Honey: In Vitro and In Silico Computational Investigation

How toxic is the COVID-19 drug azithromycin in the presence of Posidonia oceanica? Toxicokinetics and experimental approach of meiobenthic nematodes from a metallically pristine area

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