Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was found to be a severe threat to global public health in late 2019. Nevertheless, no approved medicines have been found to inhibit the virus effectively. Anti-malarial and antiviral medicines have been reported to target the SARS-CoV-2 virus. This paper chose eight natural eucalyptus compounds to study their binding interactions with the SARS-CoV-2 main protease (Mpro) to assess their potential for becoming herbal drugs for the new SARS-CoV-2 infection virus. In-silico methods such as molecular docking, molecular dynamics (MD) simulations, and Molecular Mechanics Poisson Boltzmann Surface Area (MM/PBSA) analysis were used to examine interactions at the atomistic level. The results of molecular docking indicate that Mpro has good binding energy for all compounds studied. Three docked compounds, α-gurjunene, aromadendrene, and allo-aromadendrene, with highest binding energies of −7.34 kcal/mol (−30.75 kJ/mol), −7.23 kcal/mol (−30.25 kJ/mol), and −7.17 kcal/mol (−29.99 kJ/mol) respectively, were simulated with GROningen MAchine for Chemical Simulations (GROMACS) to measure the molecular interactions between Mpro and inhibitors in detail. Our MD simulation results show that α-gurjunene has the strongest binding energy of −20.37 kcal/mol (−85.21 kJ/mol), followed by aromadendrene with −18.99 kcal/mol (−79.45 kJ/mol), and finally allo-aromadendrene with −17.91 kcal/mol (−74.95 kJ/mol). The findings indicate that eucalyptus may be used to inhibit the Mpro enzyme as a drug candidate. This is the first computational analysis that gives an insight into the potential role of structural flexibility during interactions with eucalyptus compounds. It also sheds light on the structural design of new herbal medicinal products against Mpro.
Aims: The aim of this study is to investigate the heavy metals pollution status and health risks assessment of the vegetables grown at Danbatta irrigation lands. Study Design: The research involved the collection of soil, water and cultivated vegetable from irrigation lands as well as analyzing their heavy metals pollution status. Place and Duration of Study: Samples were collected from Danbatta irrigation lands of Kano state, Nigeria. The research study covered a period of one year. Methodology: This study investigates the prevalence of heavy metals pollution and related health risks associated with the vegetables grown at Danbatta local government of Kano state. This was achieved by collecting irrigation soil, water and vegetables (onion, spinach and lettuce) from the irrigation sites, which were subsequently assayed for several heavy metals such as; Pb, Mn, Cu, Fe, Zn and Co using atomic absorption spectrophotometry (AAS). Results: The results obtained show that the concentrations of Pb, Cu and Zn in water samples to be 0.033, 0.8, and 0.89 mg/ml, respectively, while Mn and Co were not detected. Even though concentrations of these metals in water are within FAO/WHO limits, the soil was found to be contaminated with Cu (12.17 mg/kg), Fe (152.29 mg/kg) and Zn (55.75 mg/kg). Furthermore, both spinach, lettuce and onion were contaminated with Pb, and Mn. However, only lettuce and spinach were contaminated with Cu, Fe and Zn. Health risk assessment of both adults and children show that Pb, Mn, Co and Cu, posed a significant health risk to the population as their health risk index (HRI) is greater than one. The result shows that poor agricultural practices could be responsible for contaminating the soil with heavy metals, which eventually gets accumulated in the edible parts of the plants and posed a great risk to its consumers. Impacts of heavy metals pollution is on the rise across the globe. As such, it becomes necessary to monitor our environment to checkmate the threat of these contaminants and implement a reliable strategy and stable treatment of the pollution to ensure food safety.
Background and Objectives: Food shortages and nutritional imbalances are among the main food security problems in many countries around the world. In this study, the nutrients content of the yellow and red-fleshed sweet potatoes varieties cultivated in Nigeria were assessed. Materials and Methods: The proximate composition, mineral elements analysis, phytochemicals, and vitamins content of the red and yellow-fleshed sweet potatoes were determined using the standard methods of analysis. Results: The proximate analysis has shown that, the moisture (17.927%) and fat (2.703%) content of the yellow sweet potato were significantly (p<0.05) higher than in the red potato with a content of 16.68% and 1.693% respectively. The protein and fiber content of the red potato are 14.280% and 14.572% respectively, this is quite higher than in the yellow cultivar having 12.987% and 10.443% of the nutrients respectively. The ash and carbohydrate content were same in both. The red potato exhibits high level of sodium (11.420 mg/l), potassium (1.206 mg/l), and magnesium (8.468 mg/l) in contrast to the red potato containing 10.270 mg/l, 1.035 mg/l and 6.127 mg/l of the respective elements. Iron and zinc content were comparable in both cultivars while the calcium content (1.444 mg/l) of the yellow cultivar is significantly higher than in the red variety (1.144 mg/l). The vitamin A, B and E content of the red potato are 8.740 µmol/L, 2.977 mg/dl, and 13.267 mg/dl respectively. These values are significantly (p<0.05) higher than in the yellow potato containing 6.047 µmol/L, 1.680 mg/dl, and 11.110 mg/dl of the respective vitamins. There is no significant difference with respect to the vitamin C content of both yellow (11.850 mg/dl) and red potato (12.520 mg/dl). The phytochemicals: tannins, flavonoids, phenols, terpenes, and anthocyanins content of the red sweet potato are 0.967 mg/g, 1.577 mg/g, 1.867 mg/g, 6.590 mg/g and 2.660 mg/g respectively. Terpenes and anthocyanins were not found in the yellow cultivar. However, saponins (0.823 mg/g) were found in the yellow variety but not in the red potato. Amount of the tannins, flavonoids and phenols observed in the yellow-fleshed potato are 0.667 mg/g, 1.027 mg/g and 1.287 mg/g respectively. These values are lower than in the corresponding red potato. Conclusion: In this study, the nutritional contents of sweet potato varieties have been assessed which will immensely contribute to reducing the menace of malnutrition bedeviling the Northwestern part of Nigeria.
Typhoid fever had become one of the most serious infectious diseases among the urban populace of Kaduna metropolis, Northern Nigeria due to its escalating cost of treatment via the conventional system, current economic melt-down, and drug-resistant strategy of the Salmonella spp. People, therefore, resorted back to the use of medicinal drugs that are cost-effective with no side effects. An ethnobotanical survey was conducted to identify the medicinal plants used for the treatment of typhoid fever in Kaduna metropolis to establish a check-list of the pharmacognostic activity of the most frequently used plant. Self-structured questionnaires were administered among herbalists and individuals representing the consumer population. Plant specimen were also collected along the line, identified and authenticated at the herbarium of the
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