Potential Anti-SARS-CoV-2 Molecular Strategies

• Autres auteurs: Roviello, Giovanni N. (Éditeur intellectuel), Vicidomini, Caterina (Éditeur intellectuel)
• Format: Électronique Chapitre de livre
• Langue: anglais
• Publié: Basel MDPI - Multidisciplinary Digital Publishing Institute 2023
• Sujets: Technology: general issues; Biotechnology; 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
• Accès en ligne: DOAB: download the publication; DOAB: description of the publication

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...