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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.

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Title: 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.
Authors: Khayat MT; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia., Ahmed HEA; Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, Egypt., Omar AM; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.; Center for Artificial Intelligence in Precision Medicines, King Abdulaziz University, Jeddah, Saudi Arabia.; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, Egypt., Muhammad YA; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia., Mohammad KA; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia., Malebari AM; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia., Khayyat AN; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia., Halawa AH; Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo, Egypt., Abulkhair HS; Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, Egypt.; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Horus University-Egypt, New Damietta, Egypt., Al-Karmalawy AA; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ahram Canadian University, Giza, Egypt., Almaghrabi M; Pharmacognosy and Pharmaceutical Chemistry Department, College of Pharmacy, Taibah University, Al-Madinah Al-Munawarah, Saudi Arabia., Alharbi M; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia., Aljahdali AS; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia., El-Agrody AM; Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo, Egypt.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023; Vol. 41 (24), pp. 15243-15261. Date of Electronic Publication: 2023 Mar 13.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: 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.
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  Data: <searchLink fieldCode="AU" term="%22Khayat+MT%22">Khayat MT</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Ahmed+HEA%22">Ahmed HEA</searchLink>; Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, Egypt.<br /><searchLink fieldCode="AU" term="%22Omar+AM%22">Omar AM</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.; Center for Artificial Intelligence in Precision Medicines, King Abdulaziz University, Jeddah, Saudi Arabia.; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, Egypt.<br /><searchLink fieldCode="AU" term="%22Muhammad+YA%22">Muhammad YA</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Mohammad+KA%22">Mohammad KA</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Malebari+AM%22">Malebari AM</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Khayyat+AN%22">Khayyat AN</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Halawa+AH%22">Halawa AH</searchLink>; Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Abulkhair+HS%22">Abulkhair HS</searchLink>; Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Nasr City, Egypt.; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Horus University-Egypt, New Damietta, Egypt.<br /><searchLink fieldCode="AU" term="%22Al-Karmalawy+AA%22">Al-Karmalawy AA</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ahram Canadian University, Giza, Egypt.<br /><searchLink fieldCode="AU" term="%22Almaghrabi+M%22">Almaghrabi M</searchLink>; Pharmacognosy and Pharmaceutical Chemistry Department, College of Pharmacy, Taibah University, Al-Madinah Al-Munawarah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Alharbi+M%22">Alharbi M</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Aljahdali+AS%22">Aljahdali AS</searchLink>; Pharmaceutical Chemistry Department, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22El-Agrody+AM%22">El-Agrody AM</searchLink>; Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo, Egypt.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8404176 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1538-0254 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207391102%22">07391102 </searchLink><i>NLM ISO Abbreviation: </i>J Biomol Struct Dyn <i>Subsets: </i>MEDLINE
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        Value: 10.1080/07391102.2023.2188957
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