Potential Anti-SARS-CoV-2 Molecular Strategies

Herein we describe some molecular aspects of the recent anti-COVID-19 research, including some approaches making use of natural remedies, especially from medicinal plants, in silico methods, and different experimental procedures that led to the discovery of novel targets of SARS-CoV-2 and consequent...

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Dades bibliogràfiques
Format:	Online
Idioma:	anglès
Publicat:	MDPI - Multidisciplinary Digital Publishing Institute 2023
Matèries:	coronavirus infections pandemics natural compounds clove Syzygium aromaticum eugenol eugeniin SARS-CoV-2 COVID-19 phytochemicals herbal medicine catechin polyphenol tea leaf extract theaflavin virucidal activity MERS-CoV S1-NTD pharmacophore modeling ADME quantum mechanical calculation DFT FMO MM/GBSA molecular docking Molecular Dynamics Simulation HOMO LUMO COVID-19 vaccine disseminated intravascular coagulation heparin induced thrombocytopenia platelet factor 4 thrombosis thrombotic thrombo-cytopenic purpura vaccine induced thrombocytopenia and thrombosis disinfectants ethanol hand hygiene ozonated water slightly acidic electrolyzed water virucidal mechanism coronavirus renal disease nephrotoxicity reno-protective effect green tea epigallocatechin-3-gallate (EGCG) flavonoids natural products medicinal plant SARS-Cov-2 nsp10 structural similarity fingerprint ADMET toxicity main protease triazole docking MD simulation drug proteomic vaccine immunology biomarker cheminformatics phytocompounds systems pharmacology anti-COVID-19 drug repositioning molecular dynamic simulations binding free energy signal peptide RBD protein secretion mutant nucleocapsid or nucleoprotein structure-based drug discovery alphafold model and molecular dynamics neuroinflammation brain fog neuropeptides neurotransmission metabolism NSAIDs inflammation ketoprofen n/a thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TC Biochemical engineering::TCB Biotechnology
Accés en línia:	ONIX_20230405_9783036569635_177
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Potential Anti-SARS-CoV-2 Molecular Strategies

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