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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 24
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Research Articles

A novel class of phenylpyrazolone-sulphonamides rigid synthetic anticancer molecules selectively inhibit the isoform IX of carbonic anhydrases guided by molecular docking and orbital analyses

Maan T. Khayata Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaView further author information
,
Hany E. A. Ahmedb Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, EgyptCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-8898-8452View further author information
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Abdelsattar M. Omara Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia;c Center for Artificial Intelligence in Precision Medicines, King Abdulaziz University, Jeddah, Saudi Arabia;d Pharmaceutical Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, EgyptORCID Iconhttps://orcid.org/0000-0002-9825-3465View further author information
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Yosra A. Muhammada Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-4596-4167View further author information
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Khadijah A. Mohammada Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaView further author information
,
Azizah M. Malebaria Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0003-4178-0341View further author information
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Ahdab N. Khayyata Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaView further author information
,
Ahmed H. Halawae Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo, EgyptView further author information
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Hamada S. Abulkhairb Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, Egypt;f Pharmaceutical Chemistry Department, Faculty of Pharmacy, Horus University-Egypt, New Damietta, EgyptCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-6479-4573View further author information
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Ahmed A. Al-Karmalawyg Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ahram Canadian University, Giza, EgyptORCID Iconhttps://orcid.org/0000-0002-8173-6073View further author information
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Mohammed Almaghrabih Pharmacognosy and Pharmaceutical Chemistry Department, College of Pharmacy, Taibah University, Al-Madinah Al-Munawarah, Saudi ArabiaView further author information
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Majed Alharbia Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaView further author information
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Anfal S. Aljahdalia Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaView further author information
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Ahmed M. El-Agrodye Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo, EgyptORCID Iconhttps://orcid.org/0000-0001-7019-411XView further author information
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Pages 15243-15261 | Received 02 Jan 2023, Accepted 26 Feb 2023, Published online: 13 Mar 2023

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Samar El-Kalyoubi, Mohamed M. Khalifa, Mahmoud T. Abo-Elfadl, Ahmed A. El-Sayed, Ahmed Elkamhawy, Kyeong Lee & Ahmed A. Al-Karmalawy. (2023) Design and synthesis of new spirooxindole candidates and their selenium nanoparticles as potential dual Topo I/II inhibitors, DNA intercalators, and apoptotic inducers. Journal of Enzyme Inhibition and Medicinal Chemistry 38:1.
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Mohammed Almaghrabi, Arafa Musa, Ahmed K. B. Aljohani, Hany E. A. Ahmed, Marwa Alsulaimany, Samar F. Miski, Ehab M. Mostafa, Shaimaa Hussein, Della Grace Thomas Parambi, Mohammed M. Ghoneim, Walid E. Elgammal, Ahmed H. Halawa, Ali Hammad & Ahmed M. El-Agrody. (2023) Introducing of novel class of pyrano[2,3-c]pyrazole-5-carbonitrile analogs with potent antimicrobial activity, DNA gyrase inhibition, and prominent pharmacokinetic and CNS toxicity profiles supported by molecular dynamic simulation. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Rana Bershawy, Hani S. Hafez, Sahar S. El-Sakka, Ali Hammad & Mohammed H. Soliman. The anticancer and anti-inflammatory activity screening of pyridazinone-based analogs against human epidermoid skin cancer with detailed mechanistic analyses. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
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Articles from other publishers (2)

Ebtehal M. Husseiny, Hamada S. Abulkhair, Asmaa Saleh, Najla Altwaijry, Riham A. Zidan & Fatma G. Abdulrahman. (2023) Molecular overlay-guided design of new CDK2 inhibitor thiazepinopurines: Synthesis, anticancer, and mechanistic investigations. Bioorganic Chemistry 140, pages 106789.
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Arafa Musa, Hamada S. Abulkhair, Ateyatallah Aljuhani, Nadjet Rezki, Mohamed A. Abdelgawad, Khaled Shalaby, Ahmed H. El-Ghorab & Mohamed R. Aouad. (2023) Phenylpyrazolone-1,2,3-triazole Hybrids as Potent Antiviral Agents with Promising SARS-CoV-2 Main Protease Inhibition Potential. Pharmaceuticals 16:3, pages 463.
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