Inhibitory Activity of Extract against Bacteria, Candida, Herpes, and SARS-CoV-2.

Medicinal herbs have long been utilized to treat various diseases or to relieve the symptoms of some ailments for extended periods. The present investigation demonstrates the phytochemical profile, molecular docking, anti- activity, and anti-viral activity of the acetic acid extract. GC-MS analysis of the extract revealed the presence of 69 chemical compounds.

Phytochemical Discrimination, Biological Activity and Molecular Docking of Water-Soluble Inhibitors from Herb against Main Protease of SARS-CoV-2.

Siddha medicine is one of the oldest medical systems in the world and is believed to have originated more than 10,000 years ago and is prevalent across ancient Tamil land. It is undeniable that inhibitor preferences rise with increasing solubility in water due to the considerations pertaining to the bioavailability and the ease of which unabsorbed residues can be disposed of. In this study, we showed the phytochemical discrimination of extracted with water at room temperature as a green extraction procedure.

Intermolecular CH-π Electrons Interaction in Poly (9,9-dioctylfluorenyl-2,7-diyl) (PFO): An Experimental and Theoretical Study.

This study demonstrates the presence of CH-π interaction in poly [9,9-dioctylfluorenyl-2,7-diyl] (PFO-1) due to an aggregate formation of PFO-1 in the liquid state. The absorption spectra of PFO-1 in certain solvents at low concentrations showed a single band at 390 nm. However, when using high concentrations, a new band at 437 nm appeared.

Molecular Docking and Dynamics Investigations for Identifying Potential Inhibitors of the 3-Chymotrypsin-like Protease of SARS-CoV-2: Repurposing of Approved Pyrimidonic Pharmaceuticals for COVID-19 Treatment.

This study demonstrates the inhibitory effect of 42 pyrimidonic pharmaceuticals (PPs) on the 3-chymotrypsin-like protease of SARS-CoV-2 (3CL) through molecular docking, molecular dynamics simulations, and free binding energies by means of molecular mechanics-Poisson Boltzmann surface area (MM-PBSA) and molecular mechanics-generalized Born surface area (MM-GBSA). Of these tested PPs, 11 drugs approved by the US Food and Drug Administration showed an excellent binding affinity to the catalytic residues of 3CL of His41 and Cys145: uracil mustard, cytarabine, floxuridine, trifluridine, stavudine, lamivudine, zalcitabine, telbivudine, tipiracil, citicoline, and uridine triacetate. Their percentage of residues involved in binding at the active sites ranged from 56 to 100, and their binding affinities were in the range from -4.

Synthesis, anti-bacterial evaluation, DFT study and molecular docking as a potential 3-chymotrypsin-like protease (3CLpro) of SARS-CoV-2 inhibitors of a novel Schiff bases.

New Schiff bases {N'-(phenyl(pyridin-2-yl)methylene) isonicotinohydrazide (LH), -(naphthalen-1-yl)- -(phenyl(pyridin-2-yl) methylidene) ethane-1,2-diamine (LH), N-(6-chlorobenzo[d]thiazol-2-yl)-1-phenyl-1-(pyridin-2-yl) methanimine (LH)}were synthesized by reaction of 2-benzoylpyridine with different amines (2-amino-6-chlorobenzothiazole, isonicotinohydrazide and -(naphthalen-1-yl)ethane-1,2-diamine) and characterized by H-NMR, C-NMR, IR mass spectroscopy and elemental analysis. The compounds were assayed by the disc diffusion method for anti-bacterial against five pathogenic bacteria species ( and ). All prepared Schiff bases showed good activity compared to positive control (streptomycin), Moreover the showed the highest activity against than the other compounds and streptomycin.

Caffeine and caffeine-containing pharmaceuticals as promising inhibitors for 3-chymotrypsin-like protease of SARS-CoV-2.

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) 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).

Inhibition of SARS-CoV-2 main protease 3CL by means of α-ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking.

The coronavirus disease infections (COVID-19) caused by a new type of coronavirus (SARS-CoV-2) have been emerging in the entire world. Therefore, it is necessary to find out potential therapeutic pharmaceuticals for this disease. This study investigates the inhibitory effect of the 3-chymotrypsin-like protease of SARS-CoV-2 (3CL) using pharmaceuticals containing α-ketoamide group and pyridone ring based on molecular docking.

Health risk from aflatoxins in processed meat products in Riyadh, KSA.

This study investigated the health risks associated with aflatoxins (AFs) in processed meat products (PMP) sold in Riyadh, Kingdom of Saudi Arabia. The occurrence and levels of AFs were assessed using high-performance liquid chromatography with fluorescence detection (HPLC-FD), whereas the cancer risk attributed to the consumption of meat products containing AFs was estimated by means of margin of exposure (MOE) on a scale of 100-600, representing high and low exposure, respectively. The results indicated that 37.

Insight to aspirin sorption behavior on carbon nanotubes from aqueous solution: Thermodynamics, kinetics, influence of functionalization and solution parameters.

The chronic exposure to the pharmaceuticals and personal care products contaminants in water represent a serious public health problem to man and animal. We studied the removal of aspirin (Asp) as an example to these hazardous materials from an aqueous solution using functionalized (FMCNT) and pristine multiwall carbon nanotubes (PMCNT). The characterization of synthetic sorbents was examined with scanning electron energy-dispersive microscopy and transmission electron microscopy.

An Ultrasound Assessed Extraction Combined with Ion-Pair HPLC Method and Risk Assessment of Nitrite and Nitrate in Cured Meat.

An accurate IPC-UV method was developed and validated for the determination of nitrite (NI) and nitrate (NA) in meat products. The best separation was achieved on a phenyl-hexyl column (150 mm × 4.6 mm, 3 m) with a mobile phase composed of 25% acetonitrile and 75% buffer (2 mM disodium hydrogen phosphate and 3 mM tetrabutylammonium bromide, pH = 4).

Aflatoxin M₁ in breast milk of nursing Sudanese mothers.

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.

Aflatoxins in peanut butter in Khartoum State, Sudan.

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.

Aflatoxins levels in vegetable oils in Khartoum State, Sudan.

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.