The COVID-19 pandemic has been ongoing since its onset in late November 2019 in Wuhan, China. Understanding and monitoring the genetic evolution of the virus, its geographical characteristics, and its stability are particularly important for controlling the spread of the disease and especially for the development of a universal vaccine covering all circulating strains. From this perspective, we analyzed 30,983 complete SARS-CoV-2 genomes from 79 countries located in the six continents and collected from 24 December 2019, to 13 May 2020, according to the GISAID database. Our analysis revealed the presence of 3206 variant sites, with a uniform distribution of mutation types in different geographic areas. Remarkably, a low frequency of recurrent mutations has been observed; only 169 mutations (5.27%) had a prevalence greater than 1% of genomes. Nevertheless, fourteen non-synonymous hotspot mutations (>10%) have been identified at different locations along the viral genome; eight in ORF1ab polyprotein (in nsp2, nsp3, transmembrane domain, RdRp, helicase, exonuclease, and endoribonuclease), three in nucleocapsid protein, and one in each of three proteins: Spike, ORF3a, and ORF8. Moreover, 36 non-synonymous mutations were identified in the receptor-binding domain (RBD) of the spike protein with a low prevalence (<1%) across all genomes, of which only four could potentially enhance the binding of the SARS-CoV-2 spike protein to the human ACE2 receptor. These results along with intra-genomic divergence of SARS-CoV-2 could indicate that unlike the influenza virus or HIV viruses, SARS-CoV-2 has a low mutation rate which makes the development of an effective global vaccine very likely.

Essential oils (EOs) are secondary metabolites of plants, made up of a wide range of aromatic volatile compounds found in different concentrations. These essential oil components (EOCs) are widely recognized for their diverse biological activities, including antibacterial, antifungal, and antioxidant properties, among others. Consequently, EOs have garnered significant interest across various industries, such as pharmaceutical, agri-food, and perfumery. In the food sector, their bioactive properties are mainly utilized to combat foodborne microorganisms and retarding oxidative deterioration of products, which helps extend food shelf life, improve sensory qualities, and boost consumer safety. However, these aromatic molecules are known for their instability under external stress as well as their toxicity, which can range from safe at low doses to very toxic at higher concentrations. To address this limitation, encapsulation technology has emerged as an effective strategy for incorporating EOs into wall materials, thereby improving their molecular stability and effectiveness. This method not only enhances sensory acceptance but also, in some cases, reduces toxicity. In this context, this review critically highlights and examines the potential and limitations of EOs and EOCs for food industry applications. It synthesizes current research on the chemical compositions of EOs and assesses their antibacterial, antifungal, and antioxidant effectiveness when used in both free and encapsulated forms. It presents a summary of the current state of knowledge on the interactions between EOCs and the food matrix, elucidating how these interactions affect the biological efficacy of these components. Furthermore, the analysis incorporates the effects of free versus encapsulated forms on sensory attributes and safety, thereby offering a comprehensive and contemporary perspective on the practical implementation of EOs in food systems.

The opportunistic fungal pathogen Candida albicans (C. albicans) employs quorum sensing (QS) to regulate virulence factors such as biofilm formation and morphological switching. Targeting QS offers a promising approach to attenuate pathogenicity without promoting resistance. The objective of the present study was to computationally screen a library of 106 propolis-derived compounds to identify natural quorum-sensing inhibitors targeting the CYC and RAS1 receptors. Advanced techniques, including molecular docking, molecular dynamics (MD) simulations, and ADMET predictions, were employed to establish a workflow for structure-based virtual screening. Farnesol, used as a reference compound, showed a good binding affinity (-7.0 kcal/mol) toward CYC and RAS1 receptors. Two propolis flavonoids, kaempferol-3-O-4-O-p-coumaryl-glucoside (KCG) and isorhamnetin-3-glucoside-7-rhamnoside (IGR), exhibited stronger binding affinities with CYC and RAS1 receptors (between − 8.4 and − 10.3 kcal/mol). Based on Prime MMGBSA binding free energy calculations, the RAS1-KCG complex demonstrated the most favorable interaction, driven by significant coulombic and Van der Waals contributions. The CYC-KCG complex also showed relatively strong binding. These results highlight the potential of KCG as a versatile inhibitor capable of interacting with both targets. MD simulations further confirmed the excellent conformational stability of both KCG-receptor complexes, as indicated by low RMSD values, suggesting favorable dynamic behavior. These findings provide a strong foundation for subsequent validation.