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Now showing items 11-20 of 53
Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics
(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. ...
Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms
(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 ...
Solvent effects on host-guest residence time and kinetics: further insights from metadynamics simulation of Toussaintine-A unbiding from chitosan nanoparticle
(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 ...
Formulation, Optimization, and Evaluation of Moringa oleifera Leaf Polyphenol-Loaded Phytosome Delivery System against Breast Cancer Cell Lines
(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 ...
Larvicidal activity of Hypoestes forskaolii (Vahl) R. Br root extracts against Anopheles gambiae Giless.s, Aedes aegypti L, and Culex quinquefasciatus Say
(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 ...
Nanoencapsulation of water-soluble drug, lamivudine, using a double emulsion spray-drying technique for improving HIV treatment
(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 ...
Abrogating the nsp10–nsp16 switching mechanisms in SARS-CoV-2 by phytochemicals from Withania somnifera: a molecular dynamics study
(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 ...
Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms
(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 ...
Catalytic hydrothermal liquefaction of orange peels into biocrude: An optimization approach by central composite design
(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 ...
Solvent effects on host-guest residence time and kinetics: further insights from metadynamics simulation of Toussaintine-A unbiding from chitosan nanoparticle
(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 ...