Zobrazeno 1 - 6 of 6 pro vyhledávání: '"Ahmed M. Alkaoud"'
1
Akademický článek
In silico evaluation of a new compound incorporating 4(3H)-quinazolinone and sulfonamide as a potential inhibitor of a human carbonic anhydrase
Autor: Ahmed M. Alkaoud, Abbas I. Alakhras, Moez A. Ibrahim, S. K. Alghamdi, Rageh K. Hussein
Publikováno v: BMC Chemistry, Vol 18, Iss 1, Pp 1-12 (2024)
Abstract The present study investigates the potential of a new compound containing sulfonamide and 4(3H)-quinazolinone to inhibit the hCA-IIX enzyme using in silico methods. Density functional theory-based calculations of electronic properties have b
Externí odkaz: https://doaj.org/article/0e1faab25eb545329dcf71924ded025f
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2
Akademický článek
Studying the Biological Activity of Trans-[Cu (quin)2(EtOH)2] as Potent Antimicrobial Cu(II) Complex through Computational Investigations: DFT, ADMET and Molecular Docking
Autor: Rageh K. Hussein, Ahmed M. El-Khayatt, Omar K. Al Duaij, Ahmed M. Alkaoud
Publikováno v: Frontiers in Bioscience-Landmark, Vol 28, Iss 4, p 84 (2023)
Background: Trans-[Cu (quin)2(EtOH)2], a new copper (II) complex, was characterized using a variety of computational techniques to explore its biological role in pharmacological applications. Methods: The computational methods included density functi
Externí odkaz: https://doaj.org/article/f44d37adc8604b6d8fbae9807ff67245
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3
Akademický článek
DFT, ADMET and Molecular Docking Investigations for the Antimicrobial Activity of 6,6′-Diamino-1,1′,3,3′-tetramethyl-5,5′-(4-chlorobenzylidene)bis[pyrimidine-2,4(1H,3H)-dione]
Autor: Nesreen T. El-Shamy, Ahmed M. Alkaoud, Rageh K. Hussein, Moez A. Ibrahim, Abdulrahman G. Alhamzani, Mortaga M. Abou-Krisha
Publikováno v: Molecules, Vol 27, Iss 3, p 620 (2022)
Heterocyclic compounds, including pyrimidine derivatives, exhibit a broad variety of biological and pharmacological activities. In this paper, a previously synthesized novel pyrimidine molecule is proposed, and its pharmaceutical properties are inves
Externí odkaz: https://doaj.org/article/2edd3d1ae85c4d70828912b4a300de96
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5
DFT, ADMET and Molecular Docking Investigations for the Antimicrobial Activity of 6,6′-Diamino-1,1′,3,3′-tetramethyl-5,5′-(4-chlorobenzylidene)bis[pyrimidine-2,4(1H,3H)-dione]
Autor: Abou-Krisha, Nesreen T. El-Shamy, Ahmed M. Alkaoud, Rageh K. Hussein, Moez A. Ibrahim, Abdulrahman G. Alhamzani, Mortaga M.
Publikováno v: Molecules; Volume 27; Issue 3; Pages: 620
Heterocyclic compounds, including pyrimidine derivatives, exhibit a broad variety of biological and pharmacological activities. In this paper, a previously synthesized novel pyrimidine molecule is proposed, and its pharmaceutical properties are inves
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=multidiscipl::ddeff7fdcd33c18cb38a831d2ff312af
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6
Probing the Action of Screened Anticancer Triazole–Tetrazole Derivatives Against COVID-19 Using Molecular Docking and DFT Investigations
Autor: Rageh K. Hussein, Ghada Khouqeer, Ahmed M. Alkaoud, Ahmed M. El-Khayatt
Publikováno v: Natural Product Communications. 17:1934578X2210939
Drugs are continuously being evaluated for novel therapeutic uses. The purpose of this work was to screen anticancer triazole/tetrazole derivatives for effectiveness against the SARS-CoV-2 main protease (Mpro). First, the chemical structures’ activ
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::629378d8c3af48078f3b13081fc77f1d
https://doi.org/10.1177/1934578x221093915
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