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Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase.

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Title: Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase.
Authors: Sakyi PO; Department of Chemistry, School of Physical and Mathematical Sciences, College of Basic and Applied Sciences, University of Ghana, Accra, Ghana.; Department of Chemical Sciences, School of Sciences, University of Energy and Natural Resources, Sunyani, Ghana., Broni E; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, Accra, Ghana.; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, Accra, Ghana., Amewu RK; Department of Chemistry, School of Physical and Mathematical Sciences, College of Basic and Applied Sciences, University of Ghana, Accra, Ghana., Miller WA 3rd; Department of Medicine, Loyola University Medical Center, Maywood, IL, United States.; Department of Molecular Pharmacology and Neuroscience, Loyola University Medical Center, Maywood, IL, United States.; Department of Chemical and Biomolecular Engineering, School of Engineering and Applied Science, University of Pennsylvania, Philadelphia, PA, United States., Wilson MD; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, Accra, Ghana.; Department of Medicine, Loyola University Medical Center, Maywood, IL, United States., Kwofie SK; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, Accra, Ghana.; Department of Biochemistry, Cell and Molecular Biology, West African Centre for Cell Biology of Infectious Pathogens, College of Basic and Applied Sciences, University of Ghana, Accra, Ghana.
Source: Frontiers in cellular and infection microbiology [Front Cell Infect Microbiol] 2022 Jun 02; Vol. 12, pp. 859981. Date of Electronic Publication: 2022 Jun 02 (Print Publication: 2022).
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Frontiers Media SA Country of Publication: Switzerland NLM ID: 101585359 Publication Model: eCollection Cited Medium: Internet ISSN: 2235-2988 (Electronic) Linking ISSN: 22352988 NLM ISO Abbreviation: Front Cell Infect Microbiol Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase.
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  Data: <searchLink fieldCode="AU" term="%22Sakyi+PO%22">Sakyi PO</searchLink>; Department of Chemistry, School of Physical and Mathematical Sciences, College of Basic and Applied Sciences, University of Ghana, Accra, Ghana.; Department of Chemical Sciences, School of Sciences, University of Energy and Natural Resources, Sunyani, Ghana.<br /><searchLink fieldCode="AU" term="%22Broni+E%22">Broni E</searchLink>; Department of Biomedical Engineering, School of Engineering Sciences, College of Basic & Applied Sciences, University of Ghana, Accra, Ghana.; Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, Accra, Ghana.<br /><searchLink fieldCode="AU" term="%22Amewu+RK%22">Amewu RK</searchLink>; Department of Chemistry, School of Physical and Mathematical Sciences, 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, United States.; Department of Molecular Pharmacology and Neuroscience, Loyola University Medical Center, Maywood, IL, United States.; Department of Chemical and Biomolecular Engineering, School of Engineering and Applied Science, University of Pennsylvania, Philadelphia, PA, United States.<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, Accra, Ghana.; Department of Medicine, Loyola University Medical Center, Maywood, IL, United States.<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, Accra, Ghana.; Department of Biochemistry, Cell and Molecular Biology, West African Centre for Cell Biology of Infectious Pathogens, College of Basic and Applied Sciences, University of Ghana, Accra, Ghana.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Frontiers+Media+SA%22">Frontiers Media SA </searchLink><i>Country of Publication: </i>Switzerland <i>NLM ID: </i>101585359 <i>Publication Model: </i>eCollection <i>Cited Medium: </i>Internet <i>ISSN: </i>2235-2988 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2222352988%22">22352988 </searchLink><i>NLM ISO Abbreviation: </i>Front Cell Infect Microbiol <i>Subsets: </i>MEDLINE
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        Value: 10.3389/fcimb.2022.859981
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              Text: 2022 Jun 02
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