Background: The COVID-19 pandemic is a major concern. However, its association and rising cases of mucormycosis, also known as black fungus make the scenario even more troublesome. In addition, no specific medication against mucormycosis/black fungus makes things even worse.Objective: Garlic phytoconstituents have shown remarkable antifungal properties against various fungal species in various studies. Thus, the objective of the study was to check the potency of garlic phytoconstituents against the 1,3-beta-glucan synthase fungal protein using in-silico methods.Method: Auto Dock was used to evaluate selected garlic phytochemical molecules against 1,3-beta-glucan synthase fungal protein, and Discovery studio visualizer was used to create 3D and 2D interaction photos.Results: Five out of 9 phytoconstituents were found to form conventional hydrogen bonds, and only alliin formed the highest number of hydrogen bonds. However, the binding energy and inhibition constant of all nine phytoconstituents were determined. Interestingly, Z-ajoene showed the lowest binding energy of -5.07 kcal/mol and inhibition constant of 192.57µM.Conclusion: The results of our investigation suggested that garlic phytochemicals can have a good impact against black fungi, pertaining to the significant binding energies of phytoconstituents during blind docking. Specifically, Z-ajoene could be a good alternate against black fungi. However, detailed research is required to explore the antifungal activity of garlic against mucormycosis.
Mucormycosis, also known as "black fungus," is a potentially fatal disorder that causes blurred or double vision, chest pain, and breathing problems. The introduction of novel risk factors and causative agents, as well as the problems with controlling the disease, are all significant problems with mucormycosis in India. It is most common among COVID-19 patients. Mucormycosis is an invasive fungal disease that primarily affects immunosuppressant patients, mainly caused by mold fungi of the genus mucor, rhizopus, rhizomucor, and absidia, which are in the zygomycetes class and the mucorales order. The most common risk factor is diabetes mellitus, followed by haematological malignancy and solid-organ transplantation. Reversal of underlying predisposing factors, surgical debridement of infected tissues, and proper antifungal therapy are all required for the treatment of mucormycosis. In this review, the epidemiology, pathogenesis, and symptoms of black fungus and its association with covid-19, treatment and diagnosis are discussed.
Cancer is a condition in which body cells grow uncontrollably and spread to other parts of the body or grow at a particular location and depending on their location cancer are named or categorized. Breast cancer is the second constantly determined and one of the prime reasons for cancer death in the world among females. There are many external factors like carcinogenic agents and internal factors like genetic factors which are responsible for causing breast cancer in females. The threat of breast cancer occurrences increases with increasing age and with increasing non-success in treatment. The current methods and treatment which are utilized in the treatment, diagnosis and predication of breast cancer in present world are not much advanced. Therefore, over a period of time, the desire to analyze the factors facilitating the succession of breast cancer, prediction, reduction in the time taken for diagnostics, treatment, and drug discovery for breast cancer have increased. However, with traditional methods, it is hard to study prediction, diagnostics, treatment, and drug discovery for breasts. Therefore, computational approaches like artificial intelligence, bioinformatics, Quantitative structure-activity relationship (QSAR) studies, and molecular docking are used to analyze those things. In this article, current trends in computational chemistry are discussed in different fields.
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