Schistosomiasis is a tropical disease with socioeconomic problems. The goal of this study was to determine the influence of myco-synthesized nano-selenium (SeNPs) as a molluscicide on Biomphlaria alexandrina snails, with the goal of reducing disease spread via non-toxic routes. In this study, Penicillium chrysogenum culture filtrate metabolites were used as a reductant for selenium ions to form nano-selenium. The SeNPs were characterized via UV-Vis spectrophotometer, Fourier transform infrared (FT-IR) spectroscopy, transmission electron microscopy (TEM), dynamic light scattering (DLS), and X-ray diffraction (XRD). Myco-synthesized SeNPs had a significant molluscicidal effect on B. alexandrina snails after 96 h of exposure at a concentration of 5.96 mg/L. SeNPs also had miracidicidal and cercaricidal properties against S. mansoni. Some alterations were observed in the hemocytes of snails exposed to SeNPs, including the formation of pseudopodia and an increasing number of granules. Furthermore, lipid peroxide, nitric oxide (NO), malondialdehyde (MDA), and glutathione s-transferase (GST) increased significantly in a dose-dependent manner, while superoxide dismutase (SOD) decreased. The comet assay revealed that myco-synthesized SeNPs could cause breaks in the DNA levels. In silico study revealed that SeNPs had promising antioxidant properties. In conclusion, myco-synthesized SeNPs have the potential to be used as molluscicides and larvicides.

Background and aim: Naproxen is a member of the Nonsteroidal anti-inflammatory drugs (NSAIDs). This work aimed to synthesize a safe NSAID agent based on a peptide derivative. Methods: The structure of compounds 5–20 was established on the basis of spectral data. Frontier molecular orbitals and chemical reactivity were discussed to clarify inter- and intramolecular interactions among tested compounds. We applied competitive molecular docking using polynomial logarithms to identify the most accurate algorithm for pharmacological activity prediction for the tested compounds. The docking protocol with the lowest RMSD was selected for analyzing binding affinity. Results: Docking results illustrated that the binding interaction increased after introduction of an acidic fragment to the parent compound. These compounds were selected for additional study against adsorption, distribution, metabolism, excretion, and toxicity (ADMET) in silico. The compounds tested had good oral bioavailability without any carcinogenesis effect; no marked health effects were observed via rodent toxicity. Compounds passed through docking and ADMET profiles for them ( 5–16 ) were examined as anti-inflammatory and analgesic agents. Compounds 8 and 16 showed higher anti-inflammatory potency than the reference drug and tested compounds. Compounds 8 , 10 , and 14 exhibited the highest analgesic potency compared to the other tested compounds. Conclusion: The tested compounds have shown negligible ulcerogenic effects, and may be considered safer drugs than naproxen for treating inflammatory conditions.

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A library of 1,2,3-triazole-incorporated thymol-1,3,4-oxadiazole derivatives (6–18) hasbeen synthesized and tested for anticancer and antimicrobial activities. Compounds 7, 8, 9, 10, and 11 exhibited significant antiproliferative activity. Among these active derivatives, compound 2-(4-((5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-oxadiazol-2-ylthio)methyl)-1H-1,2,3-triazol-1-yl)phenol (9) was the best compound against all three tested cell lines, MCF-7 (IC50 1.1 μM), HCT-116 (IC50 2.6 μM), and HepG2 (IC50 1.4 μM). Compound 9 was found to be better than the standard drugs, doxorubicin and 5-fluorouracil. These compounds showed anticancer activity through thymidylate synthase inhibition as they displayed significant TS inhibitory activity with IC50 in the range 1.95–4.24 μM, whereas the standard drug, Pemetrexed, showed IC50 7.26 μM. The antimicrobial results showed that some of the compounds (6, 7, 9, 16, and 17) exhibited good inhibition on Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). The molecular docking and simulation studies supported the anticancer and antimicrobial data. It can be concluded that the synthesized 1,2,3-triazole tethered thymol-1,3,4-oxadiazole conjugates have both antiproliferative and antimicrobial potential.