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Article ; Online: Combined in vitro/in silico approaches, molecular dynamics simulations and safety assessment of the multifunctional properties of thymol and carvacrol: A comparative insight.

Akermi, Sarra / Smaoui, Slim / Chaari, Moufida / Elhadef, Khaoula / Gentile, Rocco / Hait, Milan / Roymahapatra, Gourisankar / Mellouli, Lotfi

Chemistry & biodiversity

2024 Volume 21, Issue 2, Page(s) e202301575

Abstract: Bioactive compounds derived from medicinal plants have acquired immense attentiveness in drug discovery and development. The present study investigated in vitro and predicted in silico the antibacterial, antifungal, and antiviral properties of thymol and ...

Abstract	Bioactive compounds derived from medicinal plants have acquired immense attentiveness in drug discovery and development. The present study investigated in vitro and predicted in silico the antibacterial, antifungal, and antiviral properties of thymol and carvacrol, and assessed their safety. The performed microbiological assays against Pseudomonas aeruginosa, Escherichia coli, Salmonella enterica Typhimurium revealed that the minimal inhibitory concentration values ranged from (0.078 to 0.312 mg/mL) and the minimal fungicidal concentration against Candida albicans was 0.625 mg/mL. Molecular docking simulations, stipulated that these compounds could inhibit bacterial replication and transcription functions by targeting DNA and RNA polymerases receptors with docking scores varying between (-5.1 to -6.9 kcal/mol). Studied hydroxylated monoterpenes could hinder C. albicans growth by impeding lanosterol 14α-demethylase enzyme and showed a (ΔG=-6.2 and -6.3 kcal/mol). Computational studies revealed that thymol and carvacrol could target the SARS-Cov-2 spike protein of the Omicron variant RBD domain. Molecular dynamics simulations disclosed that these compounds have a stable dynamic behavior over 100 ns as compared to remdesivir. Chemo-computational toxicity prediction using Protox II webserver indicated that thymol and carvacrol could be safely and effectively used as drug candidates to tackle bacterial, fungal, and viral infections as compared to chemical medication.
MeSH term(s)	Humans ; Thymol/pharmacology ; Thymol/metabolism ; Molecular Dynamics Simulation ; Molecular Docking Simulation ; Monoterpenes/pharmacology ; Monoterpenes/metabolism ; Salmonella typhimurium ; Candida albicans ; Escherichia coli ; Cymenes ; Spike Glycoprotein, Coronavirus
Chemical Substances	Thymol (3J50XA376E) ; carvacrol (9B1J4V995Q) ; spike protein, SARS-CoV-2 ; Monoterpenes ; Cymenes ; Spike Glycoprotein, Coronavirus
Language	English
Publishing date	2024-01-15
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2139001-0
ISSN	1612-1880 ; 1612-1872
ISSN (online)	1612-1880
ISSN	1612-1872
DOI	10.1002/cbdv.202301575
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Disclosing the Functional Potency of Three Oxygenated Monoterpenes in Combating Microbial Pathogenesis: From Targeting Virulence Factors to Chicken Meat Preservation.

Akermi, Sarra / Chaari, Moufida / Elhadef, Khaoula / Fourati, Mariam / Chakchouk Mtibaa, Ahlem / Agriopoulou, Sofia / Smaoui, Slim / Mellouli, Lotfi

Foods (Basel, Switzerland)

2024 Volume 13, Issue 6

Abstract: During the last few decades, there has existed an increased interest in and considerable consumer preference towards using natural and safe compounds derived from medicinal plants as alternatives to synthetic preservatives to combat microbial ... ...

Abstract	During the last few decades, there has existed an increased interest in and considerable consumer preference towards using natural and safe compounds derived from medicinal plants as alternatives to synthetic preservatives to combat microbial pathogenicity. In this regard, the present study investigated the possible synergistic interactions of the anti-foodborne bacterial capacity of linalool (L), eucalyptol (E), and camphor (C). The antibacterial synergistic effect was determined against
Language	English
Publishing date	2024-03-21
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2704223-6
ISSN	2304-8158
ISSN	2304-8158
DOI	10.3390/foods13060965
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Article: Therapeutic strategies of

Dalhoumi, Wejden / Guesmi, Fatma / Bouzidi, Amal / Akermi, Sarra / Hfaiedh, Najla / Saidi, Issam

Saudi journal of biological sciences

2022 Volume 29, Issue 6, Page(s) 103284

Abstract: Background: The drumstick tree : Methods: Moringa phytocompounds were characterized by infrared spectra (FTIR). Rats were induced for gastric ulcer with 150 mmol/L HCl/60% EtOH solution and pretreated orally with the edible infusion extract of the ... ...

Abstract	Background: The drumstick tree Methods: Moringa phytocompounds were characterized by infrared spectra (FTIR). Rats were induced for gastric ulcer with 150 mmol/L HCl/60% EtOH solution and pretreated orally with the edible infusion extract of the leaves of Results: The FTIR analysis showed the presence of several chemical biocompounds. The methanolic extract is the potent radical-scavengers with an estimated value of 87.54% at the higher concentration used (500 µg/ml) and antibacterial agent. Further, the DPPH inhibition value of the Conclusion: Overall, the therapeutic value against acidified ethanol induced gastric and ulcer ability of
Language	English
Publishing date	2022-04-21
Publishing country	Saudi Arabia
Document type	Journal Article
ZDB-ID	2515206-3
ISSN	2213-7106 ; 1319-562X
ISSN (online)	2213-7106
ISSN	1319-562X
DOI	10.1016/j.sjbs.2022.103284
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Article ; Online: Positive effects of leaves of

Samout, Noura / Bouzenna, Hafsia / Akermi, Sarra / ElFeki, Abdelfattah / Hfaiedh, Najla

Archives of physiology and biochemistry

2021 Volume 129, Issue 1, Page(s) 69–75

Abstract: Medicinal plants are sources of natural antioxidants thanks to their secondary metabolites. Previous studies showed that administration ... ...

Abstract	Medicinal plants are sources of natural antioxidants thanks to their secondary metabolites. Previous studies showed that administration of
MeSH term(s)	Rats ; Animals ; Antioxidants/pharmacology ; Antioxidants/metabolism ; Rats, Wistar ; Lipid Peroxidation ; Obesity/metabolism ; Plant Extracts/chemistry ; Liver/metabolism ; Geraniaceae/chemistry ; Geraniaceae/metabolism
Chemical Substances	Antioxidants ; Plant Extracts
Language	English
Publishing date	2021-02-22
Publishing country	England
Document type	Journal Article
ZDB-ID	1238320-x
ISSN	1744-4160 ; 1381-3455
ISSN (online)	1744-4160
ISSN	1381-3455
DOI	10.1080/13813455.2020.1797103
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Uc I Zs.99: Show issues

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Article ; Online: In-Depth Study of

Akermi, Sarra / Smaoui, Slim / Fourati, Mariam / Elhadef, Khaoula / Chaari, Moufida / Chakchouk Mtibaa, Ahlem / Mellouli, Lotfi

BioMed research international

2022 Volume 2022, Page(s) 3368883

Abstract: Questions have been raised apropos the emerging problem of microbial resistance, which may pose a great hazard to the human health. Among biosafe compounds are essential oils which captured consumer draw due to their multifunctional properties compared ... ...

Abstract	Questions have been raised apropos the emerging problem of microbial resistance, which may pose a great hazard to the human health. Among biosafe compounds are essential oils which captured consumer draw due to their multifunctional properties compared to chemical medication drugs. Here, we examined the chemical profile and the mechanism(s) of action of the
MeSH term(s)	Anti-Bacterial Agents/chemistry ; Anti-Bacterial Agents/pharmacology ; Humans ; Listeria monocytogenes ; Microbial Sensitivity Tests ; Molecular Docking Simulation ; Oils, Volatile/chemistry ; Oils, Volatile/pharmacology ; Staphylococcus aureus ; Thymol/pharmacology ; Thymus Plant/chemistry
Chemical Substances	Anti-Bacterial Agents ; Oils, Volatile ; Thymol (3J50XA376E)
Language	English
Publishing date	2022-07-21
Publishing country	United States
Document type	Journal Article
ZDB-ID	2698540-8
ISSN	2314-6141 ; 2314-6133
ISSN (online)	2314-6141
ISSN	2314-6133
DOI	10.1155/2022/3368883
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Article ; Online: In silico evidence of antiviral activity against SARS-CoV-2 main protease of oligosaccharides from Porphyridium sp.

Ben Hlima, Hajer / Farhat, Ameny / Akermi, Sarra / Khemakhem, Bassem / Ben Halima, Youssef / Michaud, Philippe / Fendri, Imen / Abdelkafi, Slim

The Science of the total environment

2022 Volume 836, Page(s) 155580

Abstract: The coronavirus pandemic (COVID-19) has created an urgent need to develop effective strategies for prevention and treatment. In this context, therapies against protease ... ...

Abstract	The coronavirus pandemic (COVID-19) has created an urgent need to develop effective strategies for prevention and treatment. In this context, therapies against protease M
MeSH term(s)	Antiviral Agents/pharmacology ; COVID-19 ; Coronavirus 3C Proteases ; Humans ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Oligosaccharides ; Porphyridium ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacology ; SARS-CoV-2
Chemical Substances	Antiviral Agents ; Oligosaccharides ; Protease Inhibitors ; 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Language	English
Publishing date	2022-04-29
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	121506-1
ISSN	1879-1026 ; 0048-9697
ISSN (online)	1879-1026
ISSN	0048-9697
DOI	10.1016/j.scitotenv.2022.155580
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Zs.A 949: Show issues

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Article: In silico evidence of antiviral activity against SARS-CoV-2 main protease of oligosaccharides from Porphyridium sp

Ben Hlima, Hajer / Farhat, Ameny / Akermi, Sarra / Khemakhem, Bassem / Ben Halima, Youssef / Michaud, Philippe / Fendri, Imen / Abdelkafi, Slim

Science of the total environment. 2022 Aug. 25, v. 836

2022

Abstract: The coronavirus pandemic (COVID-19) has created an urgent need to develop effective strategies for prevention and treatment. In this context, therapies against protease Mᵖʳᵒ, a conserved viral target, would be essential to contain the spread of the virus ...

Abstract	The coronavirus pandemic (COVID-19) has created an urgent need to develop effective strategies for prevention and treatment. In this context, therapies against protease Mᵖʳᵒ, a conserved viral target, would be essential to contain the spread of the virus and reduce mortality. Using combined techniques of structure modelling, in silico docking and pharmacokinetics prediction, many compounds from algae were tested for their ability to inhibit the SARS-CoV-2 main protease and compared to the recent recognized drug Paxlovid. The screening of 27 algal molecules including 15 oligosaccharides derived from sulfated and non-sulphated polysaccharides, eight pigments and four poly unsaturated fatty acids showed high affinities to interact with the protein active site. Best candidates showing high docking scores in comparison with the reference molecule were sulfated tri-, tetra- and penta-saccharides from Porphyridium sp. exopolysaccharides (SEP). Structural and energetic analyses over 100 ns MD simulation demonstrated high SEP fragments-Mᵖʳᵒ complex stability. Pharmacokinetics predictions revealed the prospects of the identified molecules as potential drug candidates.
Keywords	COVID-19 infection ; Porphyridium ; Severe acute respiratory syndrome coronavirus 2 ; active sites ; algae ; antiviral properties ; computer simulation ; drugs ; environment ; exopolysaccharides ; mortality ; oligosaccharides ; pandemic ; pharmacokinetics ; prediction ; proteinases ; viruses
Language	English
Dates of publication	2022-0825
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	121506-1
ISSN	1879-1026 ; 0048-9697
ISSN (online)	1879-1026
ISSN	0048-9697
DOI	10.1016/j.scitotenv.2022.155580
Database	NAL-Catalogue (AGRICOLA)

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Article: Protective effect of ginger (Zingiber officinale) against PCB-induced acute hepatotoxicity in male rats

Ahd, Khedher / Dhibi, Sabah / Akermi, Sarra / Bouzenna, Hafsia / Samout, Noura / Elfeki, Abdelfattah / Hfaiedh, Najla

RSC advances. 2019 Sept. 17, v. 9, no. 50

2019

Abstract: After absorption by the organism, polychlorinated biphenyls (PCBs) cross cellular membranes and pass into blood vessels and the lymphatic system. It is generally in the liver, adipose tissues, brain and skin that we find the strongest concentrations of ... ...

Abstract	After absorption by the organism, polychlorinated biphenyls (PCBs) cross cellular membranes and pass into blood vessels and the lymphatic system. It is generally in the liver, adipose tissues, brain and skin that we find the strongest concentrations of PCBs. Herbal medicine remains as a discipline intended to treat and to prevent certain functional disorders and/or pathologies caused by oxidative stress, which can be induced by pesticides, medicines or pollutants. The objective of this study is to verify the toxic and oxidative effects of PCBs and to investigate the protective effect of ginger (Zingiber officinale) in the liver of male rats of the “Wistar” strain. These rats are divided into 6 groups: a control group (T), two groups treated with PCB at two different concentrations (P₁ and P₂), a group treated with ginger extract (G), a group pretreated with ginger extract and then injected with the first concentration of PCBs (P₁G), and a group pretreated with ginger and then injected with the second concentration of PCBs (P₂G). The results showed that the administration of PCBs led to an increase in the relative weight of the liver, and a significant increase in all of the hepatic biomarker levels (glucose, cholesterol, triglycerides, AST, ALT, and LDH) in the serum. Furthermore, an increase in the rate of lipid peroxidation and a decrease in the antioxidant enzyme activities (catalase, superoxide dismutase and glutathione peroxidase) were observed under the influence of PCBs in the liver. The histological test showed that the PCBs induced hepatocyte vacuolization, prominent and peripheralized nuclei, hepatocellular hypertrophy and turgor of the vein in the centriacinar regions. Pretreatment with ginger extract restored all of the biochemical and oxidative parameters to the normal values and reduced the injuries caused by the PCBs. In conclusion, in our experimental conditions, ginger effectively protects the liver against the hepatotoxic effects induced by PCBs.
Keywords	Zingiber officinale ; absorption ; adipose tissue ; alanine transaminase ; antioxidant enzymes ; aspartate transaminase ; biomarkers ; blood serum ; blood vessels ; brain ; catalase ; cell membranes ; cholesterol ; enzyme activity ; ginger ; glucose ; glutathione peroxidase ; hepatotoxicity ; herbal medicines ; histology ; hypertrophy ; laboratory animals ; lactate dehydrogenase ; lipid peroxidation ; liver ; lymphatic system ; males ; normal values ; oxidation ; oxidative stress ; pesticides ; pollutants ; polychlorinated biphenyls ; protective effect ; rats ; superoxide dismutase ; triacylglycerols ; turgor
Language	English
Dates of publication	2019-0917
Size	p. 29120-29130.
Publishing place	The Royal Society of Chemistry
Document type	Article
ISSN	2046-2069
DOI	10.1039/c9ra03136g
Database	NAL-Catalogue (AGRICOLA)

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Article: Pistachio Hull Extract as a Practical Strategy to Extend the Shelf Life of Raw Minced Beef: Chemometrics in Quality Evaluation.

Elhadef, Khaoula / Ennouri, Karim / Fourati, Mariam / Ben Hlima, Hajer / Akermi, Sarra / Mellouli, Lotfi / Smaoui, Slim

Evidence-based complementary and alternative medicine : eCAM

2021 Volume 2021, Page(s) 2429766

Abstract: The agricultural processing industry produces a notable quantity of by-products rich in bioactive compounds, which can be exploited for agri-food applications. From pistachio industrial processing, pistachio's hull is one of the major by-products. This ... ...

Abstract	The agricultural processing industry produces a notable quantity of by-products rich in bioactive compounds, which can be exploited for agri-food applications. From pistachio industrial processing, pistachio's hull is one of the major by-products. This work aimed to evaluate the potential of pistachio hull, as a potential source of natural antioxidant, to preserve the meat quality. Here, we investigated the impact of aqueous pistachio hull extract (PHE) at 0.156% (PHE1), 0.312% (PHE2), and 0.625% (PHE3) on the quality of raw minced beef meat stored for 14 days at 4°C. At the end of storage, mesophilic total viable plate, psychotropic and Enterobacteriaceae counts, showed significantly lower (
Language	English
Publishing date	2021-08-16
Publishing country	United States
Document type	Journal Article
ZDB-ID	2171158-6
ISSN	1741-4288 ; 1741-427X
ISSN (online)	1741-4288
ISSN	1741-427X
DOI	10.1155/2021/2429766
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Zs.A 5995: Show issues

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Article ; Online: Protective effect of ginger (

Ahd, Khedher / Dhibi, Sabah / Akermi, Sarra / Bouzenna, Hafsia / Samout, Noura / Elfeki, Abdelfattah / Hfaiedh, Najla

RSC advances

2019 Volume 9, Issue 50, Page(s) 29120–29130

Abstract	After absorption by the organism, polychlorinated biphenyls (PCBs) cross cellular membranes and pass into blood vessels and the lymphatic system. It is generally in the liver, adipose tissues, brain and skin that we find the strongest concentrations of PCBs. Herbal medicine remains as a discipline intended to treat and to prevent certain functional disorders and/or pathologies caused by oxidative stress, which can be induced by pesticides, medicines or pollutants. The objective of this study is to verify the toxic and oxidative effects of PCBs and to investigate the protective effect of ginger (
Language	English
Publishing date	2019-09-17
Publishing country	England
Document type	Journal Article
ISSN	2046-2069
ISSN (online)	2046-2069
DOI	10.1039/c9ra03136g
Database	MEDical Literature Analysis and Retrieval System OnLINE

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