Search

A diastereoselective synthesis of highly substituted succinimide derivatives with chromone and carboxylic ester functionalities from 3-formylchromones, Meldrum's acid, and alkyl isocyanides in the presence of alcohols in moderate to good yields is described. [ABSTRACT FROM AUTHOR]

Anionic ring opening polymerization of ϵ-caprolactone was studied by using different amounts of two potassium activated initiators containing ethylene glycol ( EG) and polyhedral oligomeric silsesquioxane ( POSS) diol, in tetrahydrofuran and toluene as solvents. The synthesized hydroxyl terminated macromers and linear poly(ϵ-caprolactone) ( PCL) were characterized by proton and carbon nuclear magnetic resonance and gel permeation chromatography ( GPC) techniques. Results showed an increase in molecular weight as the monomer/initiator molar ratio increased from 100 to 151 and 202, while the molecular weight distribution ( MWD) showed a minimum by monomer concentration increase. Moreover, POSS-diol-initiated PCLs showed a higher MWD than the polymers initiated with the EG initiator. This was attributed to the formation of a vesicular structure of POSS diols which was confirmed by optical microscopy. By deconvolution of GPC peaks, the best conditions to synthesize PCL with the narrowest MWD were selected. Finally, the effects of some other parameters were studied in more detail. [ABSTRACT FROM AUTHOR]

Water-distilled volatile from the aerial parts of Pycnocycla aucherana and P. musiformis of Iranian origin was analyzed by a combination of GC and GC/MS. Twenty and 23 components were identified, which approximately constituted 99.9% of the oil of P. aucherana and P. musiformis, respectively. The major constituents of P. aucherana oil were p-cymene (44.7%), α-phellandrene (25.0%), β-phellandrene (11.7%), spathulenol (5.6%) and guaiol (5.1%), while the main constituents of the oil of P. musiformis were thymol (53.5%), α-pinene (10.7%), bornyl acetate (4.2%), limonene (3.8%) and (Z)-β-ocimene (3.3%). [ABSTRACT FROM AUTHOR]

Background: COVID-19 is a respiratory illness caused by SARS-CoV-2. Pharmaceutical companies aim to control virus spread through effective drugs. This study investigates chromone compound derivatives' ability to inhibit viral entry and prevent replication., Method: This study investigated the inhibitory effect of chromone-embedded peptidomimetics and furopyrimidines on 7BZ5 from Severe Acute Respiratory Syndrome CoV-2, Homo sapiens, and 6LU7 from Bat SARS-like CoV using molecular docking. The crystal structure of these proteins was obtained from the Protein Data Bank, and the inhibition site was determined using ligand binding interaction options. The 3D structure was protonated and energetically minimised using MOE software. Chromone derivatives were designed in three dimensions, and their energy was minimised using MOE 2019. The molecular drug-likeness was calculated using SwissADME, Lipinski and Benigni-Bossa's rule, and toxicity was calculated using Toxtree v3.1.0 software. Compounds with pharmacological properties were selected for molecular docking, and interactions were assessed using MOE 2019. MD simulations of Mpro-ch-p complexes were performed to evaluate root mean square fluctuations (RMSF) and measure protein stability., Result: The pharmacokinetic tests revealed that chromone derivatives of the peptidomimetic family have acceptable pharmacokinetic activity in the human body. Some compounds, such as Ch-p1, Ch-p2, Ch-p6, Ch-p7, Ch-p12, and Ch-p13, have pronounced medicinal properties. Molecular docking revealed high affinity for binding to SARS-CoV-2 protease. Ch-p7 had the highest binding energy, likely due to its inhibitory property. A 10 ns molecular dynamics study confirmed the stability of the protein-ligand complex, resulting in minimal fluctuations in the system's backbone. The MM-GBSA analysis revealed free energies of binding of - 19.54 kcal/mol., Conclusions: The study investigated the inhibition of viral replication using chromone derivatives, finding high inhibitory effects in the peptidomimetic family compared to other studies., (© 2023. BioMed Central Ltd., part of Springer Nature.)

(6-(cyclohexylamino)-1,3-dimethyl-5(2-pyridyl)furo[2,3-d]pyrimidine-2,4(1H,3H)-dione) abbreviated as CDP was synthesized and characterized. Ti(IV), Zn(II), Fe(III), and Pd(II) metal complexes of this ligand are prepared by the reaction of salts of Ti(IV), Zn(II), Fe(III), and Pd(II) with CDP in acetonitrile. Characterization of the ligand and its complexes was made by microanalyses, FT-IR, (1)H NMR, (13)C NMR, and UV-Visible spectroscopy. All complexes were characterized by several techniques using elemental analysis (C, H, N), FT-IR, electronic spectra, and molar conductance measurements. The elemental analysis data suggest the stoichiometry to be 1:1 [M:L] ratio formation. The molar conductance measurements reveal the presence of 1:1 electrolytic nature complexes. These new complexes showed excellent antitumor activity against two kinds of cancer cells that are K562 (human chronic myeloid leukemia) cells and Jurkat (human T lymphocyte carcinoma) cells.