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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 21
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Research Articles

The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations

Arafa Musaa Department of Pharmacognosy, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi ArabiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-0979-556XView further author information
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Saleh K. Ihmaidb Pharmaceutical Chemistry Department, Faculty of Pharmacy, Jadara University, Irbid, JordonORCID Iconhttps://orcid.org/0000-0002-6084-7065View further author information
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David L. Hughesc School of Chemistry, University of East Anglia, Norwich, UKORCID Iconhttps://orcid.org/0000-0003-0621-204XView further author information
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Musa A. Saidd Chemistry Department, College of Sciences, Taibah University, Medina, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0003-3073-5449View further author information
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Hamada S. Abulkhaire Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt;f Pharmaceutical Chemistry Department, Faculty of Pharmacy, Horus University-Egypt, International Coastal Road, New Damietta, EgyptCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-6479-4573View further author information
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Ahmed H. El-Ghorabg Department of Chemistry, College of Science, Jouf university, Sakaka, Aljouf, Saudi ArabiaView further author information
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Mohamed A. Abdelgawadh Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf university, Sakaka, Aljouf, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0001-9035-5638View further author information
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Khaled Shalabyi Department of Pharmaceutics, College of Pharmacy, Jouf University, Sakaka, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-1150-1594View further author information
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Mohamed E. Shakerj Department of Pharmacology, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi ArabiaView further author information
,
Khalid Saad Alharbij Department of Pharmacology, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0003-0393-1890View further author information
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Nasser Hadal Alotaibik Department of Clinical Pharmacy, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-2604-8075View further author information
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Deborah L. Kaysl School of Chemistry, University of Nottingham, University Park, Nottingham, UKORCID Iconhttps://orcid.org/0000-0002-4616-6001View further author information
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Laurence J. Taylorl School of Chemistry, University of Nottingham, University Park, Nottingham, UKORCID Iconhttps://orcid.org/0000-0002-4948-4267View further author information
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Della Grace Thomas Parambih Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf university, Sakaka, Aljouf, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-3954-4879View further author information
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Sami I. Alzareaj Department of Pharmacology, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi ArabiaView further author information
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Ahmed A. Al-Karmalawym 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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Hany E. A. Ahmede Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, EgyptORCID Iconhttps://orcid.org/0000-0001-8898-8452View further author information
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Ahmed M. El-Agrodyn Chemistry Department, Faculty of Science, Al-Azhar University, Cairo, EgyptORCID Iconhttps://orcid.org/0000-0001-7019-411XView further author information
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Pages 12411-12425 | Received 10 Nov 2022, Accepted 03 Jan 2023, Published online: 20 Jan 2023

Citations (9)

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Mahmoud G. Abo Al-Hamd, Haytham O. Tawfik, Omeima Abdullah, Koki Yamaguchi, Masaharu Sugiura, Ahmed B. M. Mehany, Mervat H. El-Hamamsy & Tarek F. El-Moselhy. (2023) Recruitment of hexahydroquinoline as anticancer scaffold targeting inhibition of wild and mutants EGFR (EGFRWT, EGFRT790M, and EGFRL858R). 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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Maan T. Khayat, Hany E. A. Ahmed, Abdelsattar M. Omar, Yosra A. Muhammad, Khadijah A. Mohammad, Azizah M. Malebari, Ahdab N. Khayyat, Ahmed H. Halawa, Hamada S. Abulkhair, Ahmed A. Al-Karmalawy, Mohammed Almaghrabi, Majed Alharbi, Anfal S. Aljahdali & Ahmed M. El-Agrody. (2023) 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. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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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 (5)

Ahmed A. Al-Karmalawy, Mahmoud Rashed, Marwa Sharaky, Hamada S. Abulkhair, Mohamed M. Hammouda, Haytham O. Tawfik & Moataz A. Shaldam. (2023) Novel fused imidazotriazines acting as promising top. II inhibitors and apoptotic inducers with greater selectivity against head and neck tumors: Design, synthesis, and biological assessments. European Journal of Medicinal Chemistry 259, pages 115661.
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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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Ahmed K. B. Aljohani, Waheed Ali Zaki El Zaloa, Mohamed Alswah, Mohamed A. Seleem, Mohamed M. Elsebaei, Ashraf H. Bayoumi, Ahmed M. El-Morsy, Mohammed Almaghrabi, Aeshah A. Awaji, Ali Hammad, Marwa Alsulaimany & Hany E. A. Ahmed. (2023) Development of Novel Class of Phenylpyrazolo[3,4-d]pyrimidine-Based Analogs with Potent Anticancer Activity and Multitarget Enzyme Inhibition Supported by Docking Studies. International Journal of Molecular Sciences 24:19, pages 15026.
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Ebtehal M Husseiny, Hamada S Abulkhair, Sanadelaslam SA El-Hddad, Nada Osama & Mona S El-Zoghbi. (2023) Aminopyridone-linked benzimidazoles: a fragment-based drug design for the development of CDK9 inhibitors. Future Medicinal Chemistry 15:14, pages 1213-1232.
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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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