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  1. Article ; Online: Phytocompounds from

    Akdad, Mourad / Moujane, Soumia / Bouadid, Ismail / Benlyas, Mohamed / Eddouks, Mohamed

    Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering

    2022  Volume 56, Issue 14, Page(s) 1512–1523

    Abstract: As an alternative strategy in combating the COVID-19 pandemic, phytoconstituents from medicinal plants are getting attention worldwide. The current investigation focused on the efficacy of the essential phytocompounds identified ... ...

    Abstract As an alternative strategy in combating the COVID-19 pandemic, phytoconstituents from medicinal plants are getting attention worldwide. The current investigation focused on the efficacy of the essential phytocompounds identified in
    MeSH term(s) Animals ; COVID-19/drug therapy ; Humans ; Molecular Docking Simulation ; Pandemics ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacology ; Rats ; Rats, Wistar ; SARS-CoV-2
    Chemical Substances Protease Inhibitors
    Language English
    Publishing date 2022-01-02
    Publishing country England
    Document type Journal Article
    ZDB-ID 196584-0
    ISSN 1532-4117 ; 0360-1226 ; 1077-1204 ; 1093-4529
    ISSN (online) 1532-4117
    ISSN 0360-1226 ; 1077-1204 ; 1093-4529
    DOI 10.1080/10934529.2021.2020029
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Genetic diversity of Moroccan date palm revealed by microsatellite markers.

    Khoulassa, Siham / Khurshid, Haris / Fokar, Mohamed / Eliddrissy, Hicham / Outeha, Youssef / Elfadil, Jamal / Essarioui, Adil / Benlyas, Mohamed / Mentag, Rachid / Elmoualij, Benaissa

    Genetics and molecular biology

    2023  Volume 46, Issue 2, Page(s) e20220021

    Abstract: The genetic diversity between 23 Moroccan date palm cultivars collected from the National Palm Collection at the INRA (National Agricultural Research Institute) experimental field in Zagora was assessed using SSR markers that are specifically designed ... ...

    Abstract The genetic diversity between 23 Moroccan date palm cultivars collected from the National Palm Collection at the INRA (National Agricultural Research Institute) experimental field in Zagora was assessed using SSR markers that are specifically designed for date palm. Among the 16 tested SSR, 13 were successfully amplified, and were selected to carry out this study. 208 bands were amplified, ranging from 10 to 25 bands per cultivar with an average of 16 alleles per cultivar. The value of heterozygosity of the studied markers ranged from 0.11 to 0.30. The pairwise genetic distances between those cultivars ranged from 0.06 to 0.46. The hierarchical cluster analysis distributed the 23 genotypes into four different groups of one to ten cultivars.
    Language English
    Publishing date 2023-06-05
    Publishing country Brazil
    Document type Journal Article
    ZDB-ID 1445712-x
    ISSN 1678-4685 ; 1415-4757
    ISSN (online) 1678-4685
    ISSN 1415-4757
    DOI 10.1590/1678-4685-GMB-2022-0021
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  3. Article ; Online: Biochemical and toxicity evaluation of Retama sphaerocarpa extracts and in-silico investigation of phenolic compounds as potential inhibitors against HPV16 E6 oncoprotein.

    Moujane, Soumia / Bouadid, Ismail / Bouymajane, Aziz / Younes, Filali Zegzouti / Benlyas, Mohamed / Mohammed, Bouachrine / Cacciola, Francesco / Vinci, Roberto Laganà / Tropea, Alessia / Mondello, Luigi / Altemimi, Ammar B / Eddouks, Mohamed / Moualij, Benaissa

    Fitoterapia

    2024  Volume 175, Page(s) 105923

    Abstract: Cervical cancer is a type of cancer which affects the cervix cells. The conventional treatments for cervical cancer including surgery, chemotherapy, and radiotherapy are only effective in premature stages and less effective in late stages of this tumor. ... ...

    Abstract Cervical cancer is a type of cancer which affects the cervix cells. The conventional treatments for cervical cancer including surgery, chemotherapy, and radiotherapy are only effective in premature stages and less effective in late stages of this tumor. Therefore, the therapeutic strategies based on biologically active substances from plants are needed to develop for the treatment of cervical cancer. The aim of the present study was to assess in vivo toxicity, hematological and biochemical blood parameters in Wistar rats fed Retama sphaerocarpa aqueous leaf extract (RS-AE), as well as to perform in silico molecular docking studies and dynamic simulation of phenolic compounds against HPV16 oncoprotein E6 in order to identify potential inhibitors. RS-AE was found not to induce acute or sub-acute oral toxicity or significant alterations in hematological and biochemical blood parameters in Wistar rats. A total of 11 phenolic compounds were identified in RS-AE, including dihydrodaidzein glucuronide, chrysoperiol pentoside, genistin and vitexin, which turned out to have the highest binding affinity to HPV16 oncoprotein E6. Based on these results, these RS-AE phenolic compounds could be used as natural drugs against the HPV16 E6 oncoprotein.
    Language English
    Publishing date 2024-03-28
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 412385-2
    ISSN 1873-6971 ; 0367-326X
    ISSN (online) 1873-6971
    ISSN 0367-326X
    DOI 10.1016/j.fitote.2024.105923
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  4. Article: Phytocompounds from Anvillea radiata as promising anti-Covid-19 drugs: in silico studies and in vivo safety assessment

    Akdad, Mourad / Moujane, Soumia / Bouadid, Ismail / Benlyas, Mohamed / Eddouks, Mohamed

    Journal of environmental science and health. 2021 Dec. 6, v. 56, no. 14

    2021  

    Abstract: As an alternative strategy in combating the COVID-19 pandemic, phytoconstituents from medicinal plants are getting attention worldwide. The current investigation focused on the efficacy of the essential phytocompounds identified in Anvillea radiata to ... ...

    Abstract As an alternative strategy in combating the COVID-19 pandemic, phytoconstituents from medicinal plants are getting attention worldwide. The current investigation focused on the efficacy of the essential phytocompounds identified in Anvillea radiata to target the main protease (Mᵖʳᵒ) of SARS-COV-2 through molecular docking and dynamic analyses; in addition to the safety assessment of this herb in vivo. In silico, the 6LU7 structure of Mᵖʳᵒ was prepared as a target by Discovery Studio 2020. The virtual screening of phytocompounds from Anvillea radiata was performed through iGEMDOCK program, followed by an evaluation of the potential inhibitors based on the docking scores calculated using AutoDock Vina and MGL Tools programs, as well as complexes stability assessment through MD simulation. In vivo toxicity studies of Anvillea radiata aqueous extract were also conducted in Wistar rats. Among the phytocompounds evaluated in this study, 3,5-Dicaffeoylquinic acid, Spinacetin, 9α-Epoxyparthenolide, Hispidulin, Quercetin, jaceosidin, Nepetin, and isorhamnetin were predicted to have the highest binding affinity for the Main protease (Mᵖʳᵒ) target of SARS-CoV-2. The aqueous extract of Anvillea radiata did not induce any signs of toxicity. 3,5-Dicaffeoylquinic acid, Spinacetin, 9α-Epoxyparthenolide, jaceosidin, and isorhamnetin from Anvillea radiata were selected as potential inhibitors of SARS-Cov-2 to develop new drugs anti-COVID-19.
    Keywords Anvillea garcinii subsp. radiata ; COVID-19 infection ; Severe acute respiratory syndrome coronavirus 2 ; chemical constituents of plants ; computer simulation ; environmental science ; isorhamnetin ; jaceosidin ; proteinases ; quercetin ; safety assessment ; toxicity
    Language English
    Dates of publication 2021-1206
    Size p. 1512-1523.
    Publishing place Taylor & Francis
    Document type Article
    ZDB-ID 196584-0
    ISSN 1532-4117 ; 0360-1226 ; 1077-1204 ; 1093-4529
    ISSN (online) 1532-4117
    ISSN 0360-1226 ; 1077-1204 ; 1093-4529
    DOI 10.1080/10934529.2021.2020029
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  5. Article: Effect of supplementation with polyphenol extract of Thymus atlanticus on paraoxonase‐1 activity, insulin resistance, and lipid profile in high‐fat diet‐fed hamsters

    Khouya, Tarik / Ramchoun, Mhamed / Hmidani, Abdelbassat / Amrani, Souliman / Benlyas, Mohamed / Kasbi Chadli, Fatima / Ouguerram, Khadija / Alem, Chakib

    Journal of food biochemistry. 2022 Sept., v. 46, no. 9

    2022  

    Abstract: Thymus atlanticus has been used by Moroccan people to treat a variety of health problems, particularly metabolic disorders. In this study, hamsters fed a high‐fat diet daily received distilled water (a positive control) or a single dose of Thymus ... ...

    Abstract Thymus atlanticus has been used by Moroccan people to treat a variety of health problems, particularly metabolic disorders. In this study, hamsters fed a high‐fat diet daily received distilled water (a positive control) or a single dose of Thymus atlanticus polyphenols (Pp) for 63 days. The negative control was fed a normal diet and received distilled water. Results showed that the supplementation of HFD with Pp significantly (p < .001) reduced the levels of MDA and LDL cholesterol, restored insulin level, and increased the activities of serum paraoxonase‐1 and HDL cholesterol levels, but did not affect (p > .05) the activity of superoxide dismutase and glutathione peroxidase when compared with the group feeding HFD alone. Thymus atlanticus could be an effective agent against dyslipidemia, oxidative stress, and insulin resistance. PRACTICAL APPLICATIONS: HFD consumption is a risk factor for oxidative stress and the development of metabolic disorders, such as hyperlipidemia and insulin resistance, which may result in atherosclerosis and related cardiovascular diseases, the leading causes of death globally. The management of these alterations is an important strategy to prevent and treat heart complications. Our results showed thatT. atlanticus effectively alleviated HFD‐induced hyperlipidemia and insulin resistance and improved PON1 activity. T. atlanticus is a source of biomolecules that may be an effective supplement for controlling HFD‐related metabolic disorders. Therefore, the findings of this study may be helpful in the preparation of effective supplements from T. atlanticus to control metabolic disorders and related complications.
    Keywords atherosclerosis ; blood serum ; death ; glutathione peroxidase ; heart ; high density lipoprotein cholesterol ; high fat diet ; hyperlipidemia ; insulin ; insulin resistance ; lipid composition ; low density lipoprotein cholesterol ; oxidative stress ; polyphenols ; risk factors ; superoxide dismutase
    Language English
    Dates of publication 2022-09
    Publishing place John Wiley & Sons, Ltd
    Document type Article
    Note JOURNAL ARTICLE
    ZDB-ID 433846-7
    ISSN 1745-4514 ; 0145-8884
    ISSN (online) 1745-4514
    ISSN 0145-8884
    DOI 10.1111/jfbc.14225
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  6. Article ; Online: New dehydroabietic acid (DHA) derivatives with anticancer activity against HepG2 cancer cell lines as a potential drug targeting EGFR kinase domain. CoMFA study and virtual ligand-based screening.

    Zaki, Hanane / Belhassan, Assia / Benlyas, Mohamed / Lakhlifi, Tahar / Bouachrine, Mohammed

    Journal of biomolecular structure & dynamics

    2020  Volume 39, Issue 8, Page(s) 2993–3003

    Abstract: Liver cancer has become the third type of cancer that causes death; this is why the design of new chemotherapeutic drugs against this disease is a major need. With this idea, a series of Dehydroabietic Acid-Based Acylhydrazones have been used to generate ...

    Abstract Liver cancer has become the third type of cancer that causes death; this is why the design of new chemotherapeutic drugs against this disease is a major need. With this idea, a series of Dehydroabietic Acid-Based Acylhydrazones have been used to generate a CoMFA model to design new anticancer agents. In this study, we employed a Comparative Molecular Field Analysis studies, we performed those methods on Dehydroabietic Acid-Based Acylhydrazones against HepG2 human cancer cell line. The statistical results are encouraging with Q2 equal to 0.527 and R2 equal to 0.962. The predictive ability of this model was determined using a test set of Dehydroabietic Acid-Based Acylhydrazones that gave an acceptable predictive correlation (R2test) value of 0.614. The developed model guides to design five new molecules with enhanced activity as potential drugs. On the other hand to determine a potential target to these ligands we have established a virtual screening using reverse docking with the most active molecule and 42 antiproliferative targets. Based on the affinity of complex ligand-Target, the intracellular domain of EGFR shows high stability. This suggests that our designed molecules can inhibit the target EGFR which is an important target on targeted therapy of many types of cancer.Communicated by Ramaswamy H. Sarma.
    MeSH term(s) Abietanes ; Drug Delivery Systems ; Early Detection of Cancer ; ErbB Receptors ; Hep G2 Cells ; Humans ; Ligands ; Molecular Docking Simulation ; Neoplasms ; Quantitative Structure-Activity Relationship
    Chemical Substances Abietanes ; Ligands ; dehydroabietic acid (0S5XP6S3AU) ; EGFR protein, human (EC 2.7.10.1) ; ErbB Receptors (EC 2.7.10.1)
    Language English
    Publishing date 2020-05-04
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2020.1759452
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  7. Article ; Online: Effect of supplementation with polyphenol extract of Thymus atlanticus on paraoxonase-1 activity, insulin resistance, and lipid profile in high-fat diet-fed hamsters.

    Khouya, Tarik / Ramchoun, Mhamed / Hmidani, Abdelbassat / Amrani, Souliman / Benlyas, Mohamed / Kasbi Chadli, Fatima / Ouguerram, Khadija / Alem, Chakib

    Journal of food biochemistry

    2022  Volume 46, Issue 9, Page(s) e14225

    Abstract: Thymus atlanticus has been used by Moroccan people to treat a variety of health problems, particularly metabolic disorders. In this study, hamsters fed a high-fat diet daily received distilled water (a positive control) or a single dose of Thymus ... ...

    Abstract Thymus atlanticus has been used by Moroccan people to treat a variety of health problems, particularly metabolic disorders. In this study, hamsters fed a high-fat diet daily received distilled water (a positive control) or a single dose of Thymus atlanticus polyphenols (Pp) for 63 days. The negative control was fed a normal diet and received distilled water. Results showed that the supplementation of HFD with Pp significantly (p < .001) reduced the levels of MDA and LDL cholesterol, restored insulin level, and increased the activities of serum paraoxonase-1 and HDL cholesterol levels, but did not affect (p > .05) the activity of superoxide dismutase and glutathione peroxidase when compared with the group feeding HFD alone. Thymus atlanticus could be an effective agent against dyslipidemia, oxidative stress, and insulin resistance. PRACTICAL APPLICATIONS: HFD consumption is a risk factor for oxidative stress and the development of metabolic disorders, such as hyperlipidemia and insulin resistance, which may result in atherosclerosis and related cardiovascular diseases, the leading causes of death globally. The management of these alterations is an important strategy to prevent and treat heart complications. Our results showed thatT. atlanticus effectively alleviated HFD-induced hyperlipidemia and insulin resistance and improved PON1 activity. T. atlanticus is a source of biomolecules that may be an effective supplement for controlling HFD-related metabolic disorders. Therefore, the findings of this study may be helpful in the preparation of effective supplements from T. atlanticus to control metabolic disorders and related complications.
    MeSH term(s) Animals ; Aryldialkylphosphatase/metabolism ; Cricetinae ; Diet, High-Fat/adverse effects ; Dietary Supplements ; Hyperlipidemias/metabolism ; Insulin Resistance ; Lipids ; Liver ; Plant Extracts/pharmacology ; Polyphenols/pharmacology ; Thymus Plant/chemistry
    Chemical Substances Lipids ; Plant Extracts ; Polyphenols ; Aryldialkylphosphatase (EC 3.1.8.1)
    Language English
    Publishing date 2022-05-16
    Publishing country United States
    Document type Journal Article
    ZDB-ID 433846-7
    ISSN 1745-4514 ; 0145-8884
    ISSN (online) 1745-4514
    ISSN 0145-8884
    DOI 10.1111/jfbc.14225
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  8. Article: Study of novel triazolo-benzodiazepine analogues as antidepressants targeting by molecular docking and ADMET properties prediction.

    Belhassan, Assia / Zaki, Hanane / Benlyas, Mohamed / Lakhlifi, Tahar / Bouachrine, Mohammed

    Heliyon

    2019  Volume 5, Issue 9, Page(s) e02446

    Abstract: In this study, we have selected a series of a new family of molecules bearing Triazolo-benzodiazepines, an eleven membered heterocyclic ring has been studied for antidepression activity. Docking studies suggested that all the eleven ligands interacted ... ...

    Abstract In this study, we have selected a series of a new family of molecules bearing Triazolo-benzodiazepines, an eleven membered heterocyclic ring has been studied for antidepression activity. Docking studies suggested that all the eleven ligands interacted well within active site of Drosophila melanogaster dopamine transporter (dDAT) (PDB ID: 4M48). Most ligands formed H-bond with amino acid Phe43, Asp46, Asp475, Tyr123, Ser421 and/or Gln316 and also exhibited Pi and Pi-Pi interactions with amino acid residues Tyr124, Phe319, Phe43, Phe325, Ala479 and Val120. In silico ADME evaluations of compounds showed more than 96% intestinal absorption for all compounds. During in vitro Toxicity properties prediction, the Triazolo-benzodiazepines derivatives: M
    Language English
    Publishing date 2019-09-09
    Publishing country England
    Document type Journal Article
    ZDB-ID 2835763-2
    ISSN 2405-8440
    ISSN 2405-8440
    DOI 10.1016/j.heliyon.2019.e02446
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  9. Article ; Online: Study of novel triazolo-benzodiazepine analogues as antidepressants targeting by molecular docking and ADMET properties prediction

    Belhassan, Assia / Zaki, Hanane / Benlyas, Mohamed / Lakhlifi, Tahar / Bouachrine, Mohammed

    Heliyon. 2019 Sept., v. 5, no. 9 p.e02446-

    2019  

    Abstract: In this study, we have selected a series of a new family of molecules bearing Triazolo-benzodiazepines, an eleven membered heterocyclic ring has been studied for antidepression activity. Docking studies suggested that all the eleven ligands interacted ... ...

    Abstract In this study, we have selected a series of a new family of molecules bearing Triazolo-benzodiazepines, an eleven membered heterocyclic ring has been studied for antidepression activity. Docking studies suggested that all the eleven ligands interacted well within active site of Drosophila melanogaster dopamine transporter (dDAT) (PDB ID: 4M48). Most ligands formed H-bond with amino acid Phe43, Asp46, Asp475, Tyr123, Ser421 and/or Gln316 and also exhibited Pi and Pi-Pi interactions with amino acid residues Tyr124, Phe319, Phe43, Phe325, Ala479 and Val120. In silico ADME evaluations of compounds showed more than 96% intestinal absorption for all compounds. During in vitro Toxicity properties prediction, the Triazolo-benzodiazepines derivatives: M₁, M₂, M₃ and M₁₁ showed less toxicity than the other studied molecules against algae, for daphnia the molecules M₁, M₂, M₃, M₈, M₁₀ and M₁₁ showed less toxicity than the reference molecule (Nortriptyline).
    Keywords Drosophila melanogaster ; active sites ; amino acids ; computer simulation ; dopamine ; heterocyclic compounds ; intestinal absorption ; ligands ; new family ; prediction ; toxicity ; Theoretical chemistry ; Pharmaceutical chemistry ; Bioinformatics ; Biochemistry ; Triazolo-benzodiazepine ; Antidepressant activity ; Molecular docking ; ADMET properties ; Nortriptyline
    Language English
    Dates of publication 2019-09
    Publishing place Elsevier Ltd
    Document type Article ; Online
    Note NAL-AP-2-clean ; Use and reproduction
    ZDB-ID 2835763-2
    ISSN 2405-8440
    ISSN 2405-8440
    DOI 10.1016/j.heliyon.2019.e02446
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  10. Article ; Online: Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach.

    Belhassan, Assia / Zaki, Hanane / Chtita, Samir / Alaqarbeh, Marwa / Alsakhen, Nada / Benlyas, Mohamed / Lakhlifi, Tahar / Bouachrine, Mohammed

    Computers in biology and medicine

    2021  Volume 136, Page(s) 104758

    Abstract: Covid-19 is an emerging infectious disease caused by coronavirus SARS-CoV-2. Due to the rapid rise in deaths resulted from this infection all around the world, the identification of drugs against this new coronavirus is an important requirement. Among ... ...

    Abstract Covid-19 is an emerging infectious disease caused by coronavirus SARS-CoV-2. Due to the rapid rise in deaths resulted from this infection all around the world, the identification of drugs against this new coronavirus is an important requirement. Among the drugs that can fight this type of infection; natural products are substances that serve as sources of beneficial chemical molecules for the development of effective therapies. In this study, Camphor, Artemisinin and 14 Sumac phytochemicals were docked in the active site of SARS-CoV-2 main protease (PDB code: 6LU7). We have also performed molecular dynamic simulation at 100 ns with MM-GBSA/PBSA analysis for the structures with the best affinity in the binding site of the studied enzyme (Hinokiflavone and Myricetin) after docking calculations to consider parameters like RMSD, covariance, PCA, radius of gyration, potential energy, temperature and pressure. The result indicates that Hinokiflavone and Myricetin are the structures with best affinity and stability in the binding site of the studied enzyme and they respect the conditions mentioned in Lipinski's rule and have acceptable ADMET proprieties; so, these compounds have important pharmacokinetic properties and bioavailability, and they could have more potent antiviral treatment of COVID-19 than the other studied compounds.
    MeSH term(s) Artemisinins ; COVID-19 ; Camphor ; Humans ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Phytochemicals/pharmacology ; Protease Inhibitors ; Rhus ; SARS-CoV-2
    Chemical Substances Artemisinins ; Phytochemicals ; Protease Inhibitors ; Camphor (76-22-2)
    Language English
    Publishing date 2021-08-11
    Publishing country United States
    Document type Journal Article
    ZDB-ID 127557-4
    ISSN 1879-0534 ; 0010-4825
    ISSN (online) 1879-0534
    ISSN 0010-4825
    DOI 10.1016/j.compbiomed.2021.104758
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