Targeting SARS-CoV-2 with Chaga mushroom: An in silico study toward developing a natural antiviral compound.

The novel coronavirus (SARS-CoV-2) has caused large-scale global outbreaks and mainly mediates host cell entry through the interaction of its spike (S) protein with the human angiotensin-converting enzyme-2 (ACE-2) receptor. As there is no effective treatment for SARS-CoV-2 to date, it is imperative to explore the efficacy of new compounds that possess potential antiviral activity. In this study, we assessed the potential binding interaction of the beneficial components of Chaga mushroom, a natural anti-inflammatory and immune booster with that of the SARS-CoV-2 receptor-binding domain (RBD) using molecular docking, MD simulation, and phylogenetic analysis. Beta glycan, betulinic acid, and galactomannan constituents of Chaga mushroom exhibited strong binding interaction (-7.4 to -8.6 kcal/mol) forming multivalent hydrogen and non-polar bonds with the viral S1-carboxy-terminal domain of the RBD. Specifically, the best interacting sites for beta glycan comprised ASN-440, SER 373, TRP-436, ASN-343, and ARG 509 with average binding energy of -8.4 kcal/mol. The best interacting sites of galactomannan included ASN-437, SER 373, TRP-436, ASN-343, and ALA 344 with a mean binding energy of -7.4 kcal/mol; and the best interacting sites of betulinic acid were ASN-437, SER 373, TRP-436, PHE 342, ARG 509, and ALA 344 that strongly interacted with the S-protein (ΔG = -8.1 kcal/mol). The docking results were also compared with an S-protein binding analog, NAG and depicted similar binding affinities compared with that of the ligands (-8.67 kcal/mol). In addition, phylogenetic analysis using global isolates depicted that the current SARS-CoV-2 isolates possessed a furin cleavage site (NSPRRA) in the RBD, which was absent in the previous isolates that indicated increased efficacy of the present virus for enhanced infection through increased interaction with ACE-2. The results showed that Chaga could be an effective natural antiviral that can supplement the current anti-SARS-CoV-2 drugs.

Chaga Medicinal Mushroom Inonotus obliquus (Agaricomycetes) Terpenoids May Interfere with SARS-CoV-2 Spike Protein Recognition of the Host Cell: A Molecular Docking Study.

The most challenging threat facing the global community today is the coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Despite global efforts to develop suitable treatments, very few specific antiviral agents have been suggested and the virus remains a serious global health risk. In vivo animal experiments have demonstrated that bioactive mycochemical constituents of Inonotus obliquus have immunomodulatory, antimicrobial, and antiviral properties. The present study investigates the antiviral potential of I. obliquus terpenoids against COVID-19 using a molecular docking study. The in silico study elucidates the ability of most of the terpenoid components to interact with the receptor-binding domain of SARS-CoV-2 spike glycoprotein with excellent affinity. Additionally, we found that both betulinic acid and inonotusane C could bind and stably interact with the spike protein near the host cell recognition site of angiotensin-converting enzyme 2.

In vivo evaluation of the toxicity, genotoxicity, histopathological, and anti-inflammatory effects of the purified bioglycerol byproduct in biodiesel industry.

BACKGROUND: Biodiesel has gained an increased popularity as a good alternative for fossil fuel because of its unusual qualities as a biodegradable, nontoxic, and renewable diesel fuel. Hence, the economic utilization of the accumulated bioglycerol byproduct became critically important for the sustainability of biodiesel industry. The purified bioglycerol might be used as a valuable industrial stock in cosmetic, medical, and food industries. However, if the purified product is going to be used in food, drug, or any industry that involves its ingestion or skin contact by human or animals, the product should be thoroughly tested on animal models. RESULTS: The present study investigated the acute toxicity, anti-inflammatory, histopathological, and genotoxic effects of zeolite-purified biogylcerol on different animal models. All the previous tests proved the ability of the purification process to improve the qualities of the crude bioglycerol to a degree comparable to the pharmaceutical grade glycerol. CONCLUSION: In other words, it could be concluded that zeolite-purified bioglycerol can be used in different industries that involves products consumed by human or animals.