Pyrazoline and its derivatives have numerous prominent pharmacological effects. Focusing on its anti-viral property, we have designed and synthesized three novel pyrazoline derivatives (
A1–A3
) through one-pot three components and characterized them using different spectroscopic techniques (FT-IR,
1
H NMR,
13
C NMR, and UV). These compounds were evaluated against SARS-CoV-2 main protease utilizing in-silico molecular docking studies. The docking results displayed good inhibitory activity of the synthesized compounds. Among them, compound
A2
was the most active against targeted protein. The drug-likeness and ADMET properties were predicted to have varied profiles but could still be developed, especially
A2
. DFT/TD-DFT calculations through B3LYP/6-311G++ level of theory were applied to provide comparable theoretical data along with MEP map and electronic energy gap of HOMO → LUMO.
Supplementary Information
The online version contains supplementary material available at 10.1007/s11164-022-04831-5.
New relationship between Hormones and Antioxidants has been proposed. The levels of several hormones correlate well with different Antioxidants activities in different tissues. The study conducted to find a relationship between serum male reproductive hormones andsemen Antioxidantlevels and sperm activity. Samples of infertile group consist of Asthenozoospermia ASZ (n=31) and healthy fertile men as a control (n=24). The patients have been selected and examined according to (W.H.O 2010) semen analysis manual criteria. In addition th biochemical analysis of seminal plasma including (Total antioxidant capacity TAC, Glutathione Reductase GRD, glutathione and Malondialdehyde MDA) and serum (LH, FSH and Testosterone) were assayed for each sample. Results show a decrease in TAC level of ASZ group as compared to control (439.1±207.9 and 834.5±253.7 µM), and a significant decrease in seminal glutathione levels of (127.77±59.08 and 174.12±61.25 µM) respectively, and show an increase in MDA level (131.45±119.61 and 44.13±13.07 nmol/ml) respectively, while no significant difference in GRD level (24.00±17.69 and 16.02± 9.66 U/mL) respectively. Also there is an increase in LH and FSH hormones level (5.26±2.92, 5.81±5.46 mIU/ml), in ASZ as compared to control (2.29±1.15, 1.970±1.547 IU/ml) respectively, and no significance difference in the testosterone level (5.60±1.92 and 4.35±1.65 ng/mL). .
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