Vegetable oil (n = 81) for human consumption from Khartoum State in Sudan were analyzed for aflatoxins (AFs), using high-performance liquid chromatography (HPLC) with fluorescence detection following extraction with methanol:water (80:20) and clean-up using petroleum ether. Sampling included sesame oil (n = 14), peanut oil (n = 21), and sunflower oil (n = 19) purchased from retail shops, and mixed oil produced by two local manufacturers (factory A, n = 15; factory B, n = 12). AF contamination was found in 80/81 (98.8%) samples, with total AF levels [Formula: see text] of 0.43-339.9 µg/kg and mean level of 57.5 µg/kg. All sesame oils had total AF levels that were much higher than the United States Food and Drug Administration acceptable limit of 20 µg/kg. The percentage of samples with total AF values <20 µg/kg in other oils varied and was 57.14% in peanut oil, 36.8% in sunflower oil, 66.7% (mixed oil from factory A), and 91.7% (mixed oil from factory B). In conclusion, the levels of total AFs in edible oil as available in Khartoum State are quite alarming. To reduce the health hazards for the consumers, an intervention strategy to manage AFs in food commodities from Sudan is urgently required.
Highlights
Synthesis new Schiff bases and characterized by IR, NMR and elemental analysis.
In vitro antibacterial activity were investigated.
Calculations of the density functional theory
The synthetic compounds have also been docked with 3-chymotrypsin-like protease (3CLpro).
In December 2019, a new coronavirus named severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) led to the outbreak of a pulmonary disease called COVID-19, which killed thousands of people worldwide. Therefore, the necessity to find out the potential therapeutic pharmaceuticals is imperious. This study investigates the inhibitory effect of SARS-CoV-2 3-chymotrypsin-like protease (3CL
pro
) using caffeine and caffeine-containing pharmaceuticals (3CPs) based on molecular dynamics simulations and free energy calculations by means of molecular mechanics-Poisson–Boltzmann surface area (MMPBSA) and molecular mechanics-generalized-Born surface area (MMGBSA). Of these 3CPs, seven drugs approved by the US-Food and Drug Administration have shown a good binding affinity to the catalytic residues of 3CL
pro
of His
41
and Cys
145
: caffeine, theophylline, dyphylline, pentoxifylline, linagliptin, bromotheophylline and istradefylline. Their binding affinity score ranged from –4.9 to –8.6 kcal/mol. The molecular dynamic simulation in an aqueous solution of docked complexes demonstrated that the 3CPs conformations bound to the active sites of 3CL
pro
during 200 ns molecular dynamics simulations. The free energy of binding also confirms the stability of the 3CPs–3CL
pro
complexes. To our knowledge, this
in silico
study shows for the first time very inexpensive drugs available in large quantities that can be potential inhibitors against 3CL
pro
. In particular, the repurposing of linagliptin, and caffeine are recommended for COVID-19 treatment after
in vitro, in vivo
and clinical trial validation.
Communicated by Ramaswamy H. Sarma
The presence of aflatoxin M1 (AFM1) in the breast milk of nursing Sudanese mothers was investigated using AOAC official method 980.21 as the extraction method and HPLC with fluorescence detector for separation and detection. Following informed consent, 94 breast milk samples of mothers were collected, and 51 samples were found to be positive for AFM1, with an average concentration of 0.401 ± 0.525 ng g(-1) and a maximum level of 2.561 ng g(-1). The volunteers completed a questionnaire concerning their dietary preferences. The data collected suggest that peanut butter, vegetable oils and rice are the main sources responsible for the AFM1 burden in breast milk. The toxin levels are alarmingly high, and indicate that Sudanese infants are exposed to high levels of AFM1. A wide range of harmful effects, and consequently health problems, can be expected due AFM1 toxicity.
Forty-three peanut butter samples from Khartoum State, Sudan, were analyzed for aflatoxins (AFs, AFB1 + AFB2 + AFG1 + AFG2) using high performance liquid chromatography (HPLC) with fluorescence detection after extraction with methanol:water (8:1, v/v) and clean-up using chloroform. All samples were contaminated with AFs, with total AF levels ranging between 26.7 and 853 μg/kg, and a mean total AF level of 287 ± 200.5 μg/kg. The highest concentrations were found for AFB1, (28 positive samples, maximum 534 μg/kg), while AFG1 was most frequently detected (43 positive samples, maximum 401 μg/kg). AFB2 (42 positive samples, maximum 3.2 μg/kg) and AFG2 (4 positive samples, maximum 30 μg/kg) were also present in these samples. The mean AF contamination levels found in this study exceeded by far all international regulations concerning maximum levels for this group of toxins. From the data, it is concluded that the levels of AF contamination in peanut butter from the Kartoum area are quite alarming, and may pose serious health hazards to consumers. Therefore, an intervention strategy to manage AF in peanut butter is urgently needed.
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