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Exploitation of novel pyrazolo[3,4-d]pyrimidine scaffold tethered to thiazole as potential EGFR/HER2 dual kinase inhibitor to overcome lapatinib resistant breast cancer: Design, synthesis, in silico docking and molecular dynamic simulation.

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Title: Exploitation of novel pyrazolo[3,4-d]pyrimidine scaffold tethered to thiazole as potential EGFR/HER2 dual kinase inhibitor to overcome lapatinib resistant breast cancer: Design, synthesis, in silico docking and molecular dynamic simulation.
Authors: Salem IM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sphinx University, New Assiut City, Assiut 71515, Egypt; Pharmaceutical Chemistry Department, College of Pharmacy, Al-Farahidi University, Baghdad 10070, Iraq. Electronic address: dr_ibrahim_m@yahoo.com., El-Sabbagh OI; Medicinal Chemistry Department, Faculty of Pharmacy, Zagazig University, Zagazig 44519, Egypt., Mostafa SM; Medicinal Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt., Salama I; Medicinal Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt., Al-Awadh MA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, King Abdulaziz University, Jeddah, 21589, Saudi Arabia., Alkhilaiwi FA; Department of Natural Products and Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah 21589, Saudi Arabia; Regenerative Medicine Unit, King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia., Yonbawi AR; Department of Natural Products and Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah 21589, Saudi Arabia., Binothman N; Department of Chemistry, College of Sciences and Arts, King Abdulaziz University, Rabigh, Saudi Arabia; Vaccine and Immunotherapy Unit, King Fahad Medical Research Center, King Abdulaziz University, Jeddah, Saudi Arabia., Hayallah AM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sphinx University, New Assiut City, Assiut 71515, Egypt; Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt., Ibrahim TS; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, King Abdulaziz University, Jeddah, 21589, Saudi Arabia. Electronic address: tmabrahem@kau.edu.sa.
Source: Bioorganic chemistry [Bioorg Chem] 2025 Aug; Vol. 163, pp. 108671. Date of Electronic Publication: 2025 Jun 03.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Elsevier Country of Publication: United States NLM ID: 1303703 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1090-2120 (Electronic) Linking ISSN: 00452068 NLM ISO Abbreviation: Bioorg Chem Subsets: MEDLINE
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  Data: Exploitation of novel pyrazolo[3,4-d]pyrimidine scaffold tethered to thiazole as potential EGFR/HER2 dual kinase inhibitor to overcome lapatinib resistant breast cancer: Design, synthesis, in silico docking and molecular dynamic simulation.
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  Data: <searchLink fieldCode="AU" term="%22Salem+IM%22">Salem IM</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sphinx University, New Assiut City, Assiut 71515, Egypt; Pharmaceutical Chemistry Department, College of Pharmacy, Al-Farahidi University, Baghdad 10070, Iraq. Electronic address: dr_ibrahim_m@yahoo.com.<br /><searchLink fieldCode="AU" term="%22El-Sabbagh+OI%22">El-Sabbagh OI</searchLink>; Medicinal Chemistry Department, Faculty of Pharmacy, Zagazig University, Zagazig 44519, Egypt.<br /><searchLink fieldCode="AU" term="%22Mostafa+SM%22">Mostafa SM</searchLink>; Medicinal Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt.<br /><searchLink fieldCode="AU" term="%22Salama+I%22">Salama I</searchLink>; Medicinal Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt.<br /><searchLink fieldCode="AU" term="%22Al-Awadh+MA%22">Al-Awadh MA</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, King Abdulaziz University, Jeddah, 21589, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Alkhilaiwi+FA%22">Alkhilaiwi FA</searchLink>; Department of Natural Products and Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah 21589, Saudi Arabia; Regenerative Medicine Unit, King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Yonbawi+AR%22">Yonbawi AR</searchLink>; Department of Natural Products and Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah 21589, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Binothman+N%22">Binothman N</searchLink>; Department of Chemistry, College of Sciences and Arts, King Abdulaziz University, Rabigh, Saudi Arabia; Vaccine and Immunotherapy Unit, King Fahad Medical Research Center, King Abdulaziz University, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Hayallah+AM%22">Hayallah AM</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sphinx University, New Assiut City, Assiut 71515, Egypt; Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt.<br /><searchLink fieldCode="AU" term="%22Ibrahim+TS%22">Ibrahim TS</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, King Abdulaziz University, Jeddah, 21589, Saudi Arabia. Electronic address: tmabrahem@kau.edu.sa.
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  Data: <searchLink fieldCode="JN" term="%221303703%22">Bioorganic chemistry</searchLink> [Bioorg Chem] 2025 Aug; Vol. 163, pp. 108671. <i>Date of Electronic Publication: </i>2025 Jun 03.
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              Text: 2025 Aug
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