Search Results - "Abdallah, Hassan H."

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    In silico Exploration of Bioactive Phytochemicals Against Neurodegenerative Diseases Via Inhibition of Cholinesterases by Mahomoodally, Fawzi, Abdallah, Hassan H, Suroowan, Shanoo, Jugreet, Sharmeen, Zhang, Yansheng, Hu, Xuebo

    Published in Current pharmaceutical design (01-01-2020)
    “…Neurodegenerative disorders are estimated to become the second leading cause of death worldwide by 2040. Despite the widespread use of diverse allopathic…”
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    Anti-Tubercular Properties of 4-Amino-5-(4-Fluoro-3- Phenoxyphenyl)-4H-1,2,4-Triazole-3-Thiol and Its Schiff Bases: Computational Input and Molecular Dynamics by Venugopala, Katharigatta N., Kandeel, Mahmoud, Pillay, Melendhran, Deb, Pran Kishore, Abdallah, Hassan H., Mahomoodally, Mohamad Fawzi, Chopra, Deepak

    Published in Antibiotics (Basel) (01-09-2020)
    “…In the present investigation, the parent compound 4-amino-5-(4-fluoro-3-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol (1) and its Schiff bases 2, 3, and 4 were…”
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    Dapsone is not a Pharmacodynamic Lead Compound for its Aryl Derivatives by Scior, Thomas, Abdallah, Hassan H, Salvador-Atonal, Kenia, Laufer, Stefan

    Published in Current computer-aided drug design (01-01-2020)
    “…The relatedness between the linear equations of thermodynamics and QSAR was studied thanks to the recently elucidated crystal structure complexes between…”
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    Are vanadium complexes druggable against the main protease M pro of SARS-CoV-2? - A computational approach by Scior, Thomas, Abdallah, Hassan H, Mustafa, Siti Fatimah Zaharah, Guevara-García, José Antonio, Rehder, Dieter

    Published in Inorganica chimica acta (01-05-2021)
    “…techniques helped explore the binding capacities of the SARS-CoV-2 main protease (M ) for a series of metalloorganic compounds. Along with small size vanadium…”
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    Insights into the mechanism and regioselectivity of the [3 + 2] cycloaddition reactions of cyclic nitrone to nitrile functions with a molecular electron density theory perspective by Mohammad-Salim, Haydar A., Acharjee, Nivedita, Abdallah, Hassan H.

    Published in Theoretical chemistry accounts (2021)
    “…A molecular electron density theory study is presented for [3 + 2] cycloaddition (32CA) reactions of 2,2-dimethyl-1-pyrroline-1-oxide with the nitrile…”
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    Chemical reaction of soybean flavonoids with DNA: a computational study using the implicit solvent model by Abdallah, Hassan H, Mavri, Janez, Repič, Matej, Lee, Vannajan Sanghiran, Wahab, Habibah A

    “…Genistein, daidzein, glycitein and quercetin are flavonoids present in soybean and other vegetables in high amounts. These flavonoids can be metabolically…”
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    Are vanadium complexes druggable against the main protease Mpro of SARS-CoV-2? – A computational approach by Scior, Thomas, Abdallah, Hassan H., Mustafa, Siti Fatimah Zaharah, Guevara-García, José Antonio, Rehder, Dieter

    Published in Inorganica Chimica Acta (01-05-2021)
    “…[Display omitted] •In silico simulations were carried out to settle the intriguing question whether vanadium complexes of small organic compounds could act as…”
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    Characterization of the simplest sulfenyl thiocyanate: isomers, spectroscopy and implications of astrophysical and biological relevance by Benabdelkrim, Aicha, Tourchi, Ala Eddine, Hammoutène, Dalila, Ben Yaghlane, Saida, Abdallah, Hassan H, Linguerri, Roberto, Hochlaf, Majdi

    Published in Physical chemistry chemical physics : PCCP (14-08-2020)
    “…Sulfenyl thiocyanate compounds, RSSCN, are involved in the human immune system biochemical processes. They are also the routes for the synthesis of complex…”
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