Výsledky vyhledávání - "Hamid Maghat"

Akademický článek

Computational integration for antifungal 1,2,4-triazole inhibitors design: QSAR, molecular docking, molecular dynamics simulations, ADME/Tox, and retrosynthesis studies

Autor: Soukaina Bouamrane, Ayoub Khaldan, Marwa Alaqarbeh, Abdelouahid Sbai, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine, Hamid Maghat

Publikováno v: Chemical Physics Impact, Vol 8, Iss , Pp 100502- (2024)

Fungal infections are a growing public health problem worldwide. Despite the availability of several medicines, their efficacy is still constrained by fungal resistance. This research conducted the 2D/3D-QSAR analysis on twenty-nine triazole molecule

Externí odkaz: https://doaj.org/article/ed52f1aba3dd48468596591a87199319

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Akademický článek

Inhibition activity of triazoles as a new family for the inhibition of the Indoleamine 2,3-dioxygenase 1 IDO1 protein using 2D-QSAR approach

Autor: Khadija Zaki, Fatimazahra Fakir, Abdelouahid Sbai, Hamid Maghat, Mohammed Bouachrine, Tahar Lakhlifi

Publikováno v: Current Chemistry Letters, Vol 13, Iss 3, Pp 451-466 (2024)

Protein IDO1 (indoleamine 2,3-dioxygenase) occupies a critical position in the regulation of the immune system and is involved in cancer progression and the development of immune diseases. Being a therapeutic target for such critical diseases, we aim

Externí odkaz: https://doaj.org/article/76c6be4381ef4d0d9bf7273bcb778c57

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Akademický článek

Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and quantum studies

Autor: Ayoub Khaldan, Soukaina Bouamrane, Reda El-mernissi, Mohamed Ouabane, Marwa Alaqarbeh, Hamid Maghat, Mohammed Aziz Ajana, Chakib Sekkat, Mohammed Bouachrine, Tahar Lakhlifi, Abdelouahid Sbai

Publikováno v: Arabian Journal of Chemistry, Vol 17, Iss 3, Pp 105656- (2024)

Diabetes mellitus is a chronic and non-infectious metabolic disorder caused by insufficient insulin secretion. This study investigated a set of thirty-one 4-amino-1,2,4-triazole derivatives, experimentally evaluated for their α-glucosidase activity

Externí odkaz: https://doaj.org/article/bb0a9df2199f4b89a6c426610662e072

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Akademický článek

Garlic as an effective antifungal inhibitor: A combination of reverse docking, molecular dynamics simulation, ADMET screening, DFT, and retrosynthesis studies

Autor: Soukaina Bouamrane, Ayoub Khaldan, Marwa Alaqarbeh, Abdelouahid Sbai, Mohammed Aziz Ajana, Mohammed Bouachrine, Tahar Lakhlifi, Hamid Maghat

Publikováno v: Arabian Journal of Chemistry, Vol 17, Iss 3, Pp 105642- (2024)

Fungal infections profoundly affect human health, causing a substantial number of infections and millions of fatalities annually on a global scale. The identification of new drugs targeting this infection is a challenge that is not yet complete. Natu

Externí odkaz: https://doaj.org/article/e1a1625d98d74b1fa1f7ae5bc2bd83f7

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Akademický článek

Computational assessment of the reactivity and pharmaceutical potential of novel triazole derivatives: An approach combining DFT calculations, molecular dynamics simulations, and molecular docking

Autor: Kamal Tabti, Abdelouahid Sbai, Hamid Maghat, Tahar Lakhlifi, Mohammed Bouachrine

Publikováno v: Arabian Journal of Chemistry, Vol 17, Iss 1, Pp 105376- (2024)

The worldwide prevalence of cancer and its increasing frequency make it a key research area in drug discovery programs. The current research paper describes the development of QSAR models based on the in vitro against topoisomerase II, which identifi

Externí odkaz: https://doaj.org/article/fefdeb9740c346f9a2e3e5c8b24924ce

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Akademický článek

Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties

Autor: Ayoub Khaldan, Soukaina Bouamrane, Fatima En-Nahli, Reda El-mernissi, Khalil El khatabi, Rachid Hmamouchi, Hamid Maghat, Mohammed Aziz Ajana, Abdelouahid Sbai, Mohammed Bouachrine, Tahar Lakhlifi

Publikováno v: Heliyon, Vol 7, Iss 3, Pp e06603- (2021)

Coronavirus (COVID-19), an enveloped RNA virus, primarily affects human beings. It has been deemed by the World Health Organization (WHO) as a pandemic. For this reason, COVID-19 has become one of the most lethal viruses which the modern world has ev

Externí odkaz: https://doaj.org/article/8a6d5c27d1d14ca2940d66faf7ae6b17

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Akademický článek

Theoretical Study of 1,3-Dipolar Cycloadditions Regioselectivity of Benzyl Azide with Glycosyl-O Acetylene Using Density Functional Theory (DFT)

Autor: Adib Ghaleb, Adnane Aouidate, Abdelouahid Sbai, Tahar Lakhlifi, Hamid Maghat, Mouhamed Bouachrine

Publikováno v: Orbital: The Electronic Journal of Chemistry, Vol 9, Iss 5, Pp 337-343 (2017)

A theoretical study of 1,3-cycloaddition has been carried out using density functional theory (DFT) methods at the B3LYP/6-31G* level. The regioselectivity of the reaction have been clarified through different theoretical approaches: Case of a Two-Ce

Externí odkaz: https://doaj.org/article/1c57a18b89284aa7854c7d05284492c7

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