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    Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics 

    Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Onoka, Isaac; Vianney, John-Mary; Swai, Hulda; Nyandoro, Stephen (Springer Nature, 2021-07-08)
    Natural products have served human life as medications for centuries. During the outbreak of COVID-19, a number of naturally derived compounds and extracts have been tested or used as potential remedies against COVID-19. ...
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    Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms 

    Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Swai, Hulda; Vianney, John-Mary; Nyandoro, Stephen (Elsevier Ltd., 2021-06)
    The recent outbreak of SARS-CoV-2 is responsible for high morbidity and mortality rate across the globe. This requires an urgent identification of drugs and other interventions to overcome this pandemic. Computational ...
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    Solvent effects on host-guest residence time and kinetics: further insights from metadynamics simulation of Toussaintine-A unbiding from chitosan nanoparticle 

    Shadrack, Daniel M.; Kiruri, Lucy W.; Swai, Hulda; Nyandoro, Stephen S. (Springer Nature Switzerland AG., 2021-04-14)
    Solvents play an important role in host-guest intermolecular interactions. The kinetics and residence time of Toussaintine-A (TouA) unbinding from chitosan was investigated by means of well-tempered metadynamics and ...
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    Formulation, Optimization, and Evaluation of Moringa oleifera Leaf Polyphenol-Loaded Phytosome Delivery System against Breast Cancer Cell Lines 

    Wanjiru, Jecinta; Gathirwa, Jeremiah; Sauli, Elingarami; Swai, Hulda (MDPI, 2022-07-11)
    Moringa oleifera leaf polyphenols (Mopp) were encapsulated with phytosomes to enhance their efficacy on 4T1 cancer cell lines. The Mopp were extracted via microwave-assisted extraction. Moringa oleifera polyphenol-loaded ...
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    Larvicidal activity of Hypoestes forskaolii (Vahl) R. Br root extracts against Anopheles gambiae Giless.s, Aedes aegypti L, and Culex quinquefasciatus Say 

    Sillo, Albert; Makirita, Winisia; Swai, Hulda; Chacha, Musa (Dove Press, 2019-04-26)
    Aim: This study aimed to evaluate larvicidal activity of Hypoestes forskaolii R. Br root extract against 3rd instar Anopheles gambiae, Aedes aegypti, and Culex quinquefasciatus. Methods: A protocol developed by the World ...
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    Nanoencapsulation of water-soluble drug, lamivudine, using a double emulsion spray-drying technique for improving HIV treatment 

    Tshweu, Lesego; Katata, Lebogang; Kalombo, Lonji; Swai, Hulda (Springer Nature Switzerland AG., 2013-10-22)
    Current treatments available for human immunodeficiency virus, namely antiretrovirals, do not completely eradicate the virus from the body, leading to life-time commitment. Many antiretrovirals suffer drawbacks from ...
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    Abrogating the nsp10–nsp16 switching mechanisms in SARS-CoV-2 by phytochemicals from Withania somnifera: a molecular dynamics study 

    Vuai, Said; Onoka, Isaac; Sahini, Mtabazi; Swai, Hulda; Shadrack, Daniel (Taylor & Francis Online, 2021-09-14)
    The search for therapeutic small molecules and vaccines for Covid-19 treatment is an urgent but evolving topic. The virus has claimed over 3,782,490 lives (as of 12 June 2021), with the figure expected to rise due to the ...
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    Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms 

    Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Swai, Hulda; Vianney, John-Mary; Nyandoro, Stephen (Elsevier Inc., 2021-02-23)
    The recent outbreak of SARS-CoV-2 is responsible for high morbidity and mortality rate across the globe. This requires an urgent identification of drugs and other interventions to overcome this pandemic. Computational drug ...
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    Catalytic hydrothermal liquefaction of orange peels into biocrude: An optimization approach by central composite design 

    Kariim, Ishaq; Waidi, Yusuf; Swai, Hulda; Kivevele, Thomas (Elsevier B.V., 2023-08)
    Global instability, persistent increase in pump-price, inflation and depletion of fossil fuel resources amidst the continuous discharge of greenhouse gases from fossil fuels combustion call for urgent attention. The ...
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    Solvent effects on host-guest residence time and kinetics: further insights from metadynamics simulation of Toussaintine-A unbiding from chitosan nanoparticle 

    Shadrack, Daniel; Kiruri, Lucy; Swai, Hulda; Nyandoro, Stephen (Springer Nature, 2021-04-14)
    Solvents play an important role in host-guest intermolecular interactions. The kinetics and residence time of Toussaintine-A (TouA) unbinding from chitosan was investigated by means of well-tempered metadynamics and ...
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