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Molecular modelling and de novo fragment-based design of potential inhibitors of beta-tubulin gene of Necator americanus from natural products.

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Title: Molecular modelling and de novo fragment-based design of potential inhibitors of beta-tubulin gene of Necator americanus from natural products.
Authors: Agyapong O; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, PMB LG 77, Legon, Accra, Ghana.; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, P.O. Box LG 581, Legon, Accra, Ghana., Asiedu SO; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, PMB LG 77, Legon, Accra, Ghana.; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, P.O. Box LG 581, Legon, Accra, Ghana., Kwofie SK; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, PMB LG 77, Legon, Accra, Ghana.; West African Centre for Cell Biology of Infectious Pathogens, Department of Biochemistry, Cell and Molecular Biology, College of Basic and Applied Sciences, University of Ghana, Accra, Ghana., Miller WA 3rd; Department of Medicine, Loyola University Medical Center, Maywood, IL, 60153, USA.; University of Pennsylvania, School of Engineering and Applied Science, Department of Chemical and Biomolecular Engineering, Philadelphia, PA, 19104, USA., Parry CS; Center for Sickle Cell Disease, And Department of Microbiology, Howard University, Washington, DC, 20059, USA., Sowah RA; Department of Computer Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, Legon, Accra, Ghana., Wilson MD; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, P.O. Box LG 581, Legon, Accra, Ghana.; Department of Medicine, Loyola University Medical Center, Maywood, IL, 60153, USA.
Source: Informatics in medicine unlocked [Inform Med Unlocked] 2021; Vol. 26. Date of Electronic Publication: 2021 Sep 15.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Ltd Country of Publication: England NLM ID: 101718051 Publication Model: Print-Electronic Cited Medium: Print ISSN: 2352-9148 (Print) Linking ISSN: 23529148 NLM ISO Abbreviation: Inform Med Unlocked Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Molecular modelling and de novo fragment-based design of potential inhibitors of beta-tubulin gene of Necator americanus from natural products.
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  Data: <searchLink fieldCode="AU" term="%22Agyapong+O%22">Agyapong O</searchLink>; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, PMB LG 77, Legon, Accra, Ghana.; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, P.O. Box LG 581, Legon, Accra, Ghana.<br /><searchLink fieldCode="AU" term="%22Asiedu+SO%22">Asiedu SO</searchLink>; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, PMB LG 77, Legon, Accra, Ghana.; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, P.O. Box LG 581, Legon, Accra, Ghana.<br /><searchLink fieldCode="AU" term="%22Kwofie+SK%22">Kwofie SK</searchLink>; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, PMB LG 77, Legon, Accra, Ghana.; West African Centre for Cell Biology of Infectious Pathogens, Department of Biochemistry, Cell and Molecular Biology, College of Basic and Applied Sciences, University of Ghana, Accra, Ghana.<br /><searchLink fieldCode="AU" term="%22Miller+WA+3rd%22">Miller WA 3rd</searchLink>; Department of Medicine, Loyola University Medical Center, Maywood, IL, 60153, USA.; University of Pennsylvania, School of Engineering and Applied Science, Department of Chemical and Biomolecular Engineering, Philadelphia, PA, 19104, USA.<br /><searchLink fieldCode="AU" term="%22Parry+CS%22">Parry CS</searchLink>; Center for Sickle Cell Disease, And Department of Microbiology, Howard University, Washington, DC, 20059, USA.<br /><searchLink fieldCode="AU" term="%22Sowah+RA%22">Sowah RA</searchLink>; Department of Computer Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, Legon, Accra, Ghana.<br /><searchLink fieldCode="AU" term="%22Wilson+MD%22">Wilson MD</searchLink>; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, P.O. Box LG 581, Legon, Accra, Ghana.; Department of Medicine, Loyola University Medical Center, Maywood, IL, 60153, USA.
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  Data: <searchLink fieldCode="JN" term="%22101718051%22">Informatics in medicine unlocked</searchLink> [Inform Med Unlocked] 2021; Vol. 26. <i>Date of Electronic Publication: </i>2021 Sep 15.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Elsevier+Ltd%22">Elsevier Ltd </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101718051 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Print <i>ISSN: </i>2352-9148 (Print) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2223529148%22">23529148 </searchLink><i>NLM ISO Abbreviation: </i>Inform Med Unlocked <i>Subsets: </i>PubMed not MEDLINE
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        Value: 10.1016/j.imu.2021.100734
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