Two chloroflavones, 6 and 7 along with their corresponding chalcones, 4 and 5 have been tested for antibacterial and antifungal activities against six human pathogenic bacteria viz. Bacillus cereus (G+), Staphylococcus aureus (G+), Escherichia coli (G-), Vibrio choloriae (G-), Pseudomonas aeruginosa (G-), and Salmonella typhi (G-), and four plant as well as mold fungi viz. Aspergillus flavus, Aspergillus ochraceus, Aspergillus niger and Rhizopus spp.. The antibacterial and antifungal screens of the synthesized compounds were performed in vitro by the filter paper disc diffusion method and the poisoned food technique, respectively. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of these synthesized compounds in comparison to ampicillin were also determined by broth micro-dilution method. Some of them were found to possess significant activity, when compared to standard drugs.
Well-defined polystyrenes were successfully prepared by the CuX/(dN)bpy or CuX/ PMDETA catalyzed atom transfer radical polymerization of styrene using 1-phenylethyl bromide (1-PEBr) or benzyl bromide (BnBr) as initiators. We found that the CuX/PMDETA catalyzed ATRP of styrene proceeded faster than CuX/(dN)bpy catalyzed counterpart in bulk, diphenyl ether (DPE) and anisole. Using CuX/(dN)bpy catalyst, well-defined polystyrenes were obtained with good chain-end functionalities and low polydispersity (Mw/Mn <1.5) compared to CuX/PMDETA catalyst. The CuBr/PMDETA catalyzed ATRP of n-butyl acrylate (nBA), n-butyl methacrylate (nBMA), and tert-butyl methacrylate (tBMA) were also proceeded in a controlled manner. The molecular structure and molecular weight of polymers were determined by proton nuclear magnetic resonance (1H NMR) spectroscopy and size exclusion chromatography (SEC), respectively.
Well-defined functional poly( p -phenyl styrenesulfonate) and poly( p -phenyl styrene-sulfonate- co -styrene) were successfully synthesized by the atom transfer radical polymerization (ATRP) using CuBr/bpy(PMDETA) catalyst and 1-phenylethyl bromide (1-PEBr) as an ATRP initiator in diphenyl ether (DPE) or dimethyl formamide (DMF). In both homo- and copolymers, the CuBr/PMDETA catalytic system in DPE or DME showed higher yield than CuBr/bpy and the polydispersity index (PDI) of polymer was low. Using PMDETA or bpy as a ligand in DMF, the high yield with high PDI was obtained than in DPE. We found that the CuBr/PMDETA catalyzed ATRP of p -phenyl styrenesulfonate and copolymerization with styrene comonomer in DPE proceeded in a controlled manner. The polymers containing sulfonic acid were obtained by the chemical deprotection of protecting group, followed by acidification. The molecular structure, molecular weights and thermal properties of the copolymers were determined by nuclear magnetic resonance ( 1 H NMR) spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, size exclusion chromatography (SEC), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), respectively.
Monosaccharide esters (MEs) are getting more attention from bioorganic chemists due to their biodegradable and drug-likeness properties. As a consequence, carbohydrate derivatives (sugar-based esters, SEs) are an essential part of medicinal chemistry. In this context, density functional theory (DFT) with B3LYP/ 3-21G has been employed to optimize the methyl 4,6-O-benzylidene-α-D-glucopyranoside (3) of methyl α-D-glucopyranoside (2) and its protected acyl esters 4-6. The prediction of activity spectra for substances (PASS) of these compounds showed better antifungal functionalities than the antibacterial potentiality. Thermodynamic properties and molecular electrostatic potential (MEP) of these MEs indicated their stability and both the electrophilic and nucleophilic attack sites. Due to their better antifungal potentiality, molecular docking was conducted against fungal protein lanosterol 14α-demethylase (3JUS), and SARS-CoV-2 main protease (6LU7) along with absorption, distribution, metabolism, excretion, and toxicity (ADMET) studies. The study indicated a better binding affinity of some esters compared to the standard antifungal and COVID-19 related drug hydroxychloroquine (HCQ).
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