Potential Anti-SARS-CoV-2 Molecular Strategies

• Other Authors: Roviello, Giovanni N. (Editor), Vicidomini, Caterina (Editor)
• Format: Electronic Book Chapter
• Language: English
• Published: Basel MDPI - Multidisciplinary Digital Publishing Institute 2023
• Subjects: 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
• Online Access: 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 consequently novel potential COVID-19 therapeutics. COVID-19 vaccines also find mention in this book with also a description of some adverse effects reported in some cases. Considering that the different beta coronaviruses present certain conserved biomolecular mechanisms and, thus, some common therapeutic targets, finding effective therapies for a specific member of their family (such as SARS-CoV, SARS-CoV-2, and MERS-CoV) even in a scenario of a reduced impact at the time of the related disease on humankind is still relevant as it could offer or inspire efficacious therapeutic strategies not only in the context of novel pathogenic mutations of the already known beta coronaviruses, but also when future zoonoses caused by other beta coronaviruses will emergence, which is not unlikely to occur in the current world where the interactions between humans and wildlife are made more and more frequent due to the growing loss of intact ecosystems worldwide.