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Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation.

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Title: Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation.
Authors: Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4000, South Africa., Abdelhamid MMH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Abdeljawaad KAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Abdelrahman AHM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Mekhemer GAH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Sidhom PA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt., Sayed SRM; Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia., Paré PW; Department of Chemistry & Biochemistry, Texas Tech University, Lubbock, TX 79409, USA., Hegazy MF; Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt., Shoeib T; Department of Chemistry, The American University in Cairo, New Cairo 11835, Egypt.
Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jul 28; Vol. 28 (15). Date of Electronic Publication: 2023 Jul 28.
Publication Type: Journal Article
Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation.
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  Data: <searchLink fieldCode="AU" term="%22Ibrahim+MAA%22">Ibrahim MAA</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4000, South Africa.<br /><searchLink fieldCode="AU" term="%22Abdelhamid+MMH%22">Abdelhamid MMH</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Abdeljawaad+KAA%22">Abdeljawaad KAA</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Abdelrahman+AHM%22">Abdelrahman AHM</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Mekhemer+GAH%22">Mekhemer GAH</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Sidhom+PA%22">Sidhom PA</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt.<br /><searchLink fieldCode="AU" term="%22Sayed+SRM%22">Sayed SRM</searchLink>; Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Paré+PW%22">Paré PW</searchLink>; Department of Chemistry & Biochemistry, Texas Tech University, Lubbock, TX 79409, USA.<br /><searchLink fieldCode="AU" term="%22Hegazy+MF%22">Hegazy MF</searchLink>; Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt.<br /><searchLink fieldCode="AU" term="%22Shoeib+T%22">Shoeib T</searchLink>; Department of Chemistry, The American University in Cairo, New Cairo 11835, Egypt.
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        Value: 10.3390/molecules28155713
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      – TitleFull: Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation.
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              Text: 2023 Jul 28
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