Morphological, structural, molecular docking and biocidal studies of newly synthesized Ppy‐MA/TiO₂ nanocomposites

Abstract

e The present paper describes the chemical oxidative polymerization of pyrrole and methyl anthranilate, Ppy-MA, in different molar ratios in high yields. The polymerization takes place in the presence of H 2 O 2 and FeSO 4 . Subsequently, electrically conducting nanocomposites Ppy-MA/TiO 2 were obtained by in situ chemical oxidative polymerization using TiO 2 nanoparticles in different molar ratios. The structure and morphology of black powdered copolymers, Ppy-MA, and their nanocomposites, Ppy-MA/TiO 2 , were ascertained using Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy, transmission electron microscopy, X-ray differential, thermogravimetric analysis, and differential thermal analysis. These studies have shown that the nanocomposites, Ppy-MA/ TiO 2 , are thermally more stable, good electrical conductors as compared with their copolymers Ppy-MA.The copolymers Ppy-MA prepared from different monomer ratios and its nanocomposites Ppy-MA/TiO 2 have been screened for their possible in vitro antibacterial activity against Staphylococcus aureus (ATCC 29213), Streptococcus mutans (ATCC 25175), Streptococcus pyogenes (MTCC 435), Staphylococcus epidermidis (MTCC 435), Bacillus cereus (MTCC 430), Corynebacterium xerosis (ATCC 373), Acetobacter bovis (Clinical isolate), Escherichia coli (ATCC 25922), Klebsiella pneumoniae (MTCC 109), Proteus vulgaris (MTCC 426), and Pseudomonas aeruginosa (MTCC 424) using ciprofloxacin and gentamicin as standard drugs. Moreover, the anthelmintic activities of copolymers Ppy-MA and its nanocomposites Ppy-MA/TiO 2 have also been estimated against the standard drug, albendazole.

Spectral, morphological, and antibacterial studies of conducting copolymers, Ppy‐MA, and their nanocomposites, Ag@Ppy‐MA

“…The conductivity (s) was calculated using the following equations: where G 7( W / S ) is correction divisor, which is a function of thickness of the sample as well as probe spacing, and I , W , and S are current ( A ), thickness of the film (cm), and probe spacing (cm), respectively. The shore hardness of the copolymers, Ppy‐MA, and their nanocomposites, Ag@Ppy‐MA, was calculated using a shore hardness instrument made by Coats Machine Tool Co. Ltd, London . The silver concentration was determined by the inductively coupled plasma–atomic absorption spectrometry technique after dissolution in a H 2 SO 4 ‐H 2 O 2 mixture (pyrania solution) …”

Molecular Docking Approach for Biological Interaction of Green Synthesized Nanoparticles

“…The structure of NPs needs to be meticulously constructed to replicate their exact dimensions and shape. The original chemical structure of the nanoparticles (NPs) can be obtained from online resources such as the Cambridge Cluster Database, or it can be manually constructed using a variety of software programs such as Chem Draw version 22.0 [ 119 , 120 ]. It is necessary to optimize the geometry of those NPs by energy minimization, applying the proper methodology and theoretical level.…”

Heterocyclic compounds bearing pyrimidine, oxazole and pyrazole moieties: design, computational, synthesis, characterization, antibacterial and molecular docking screening

“…epidermidis (ATCC-29887), E. coli (ATCC-25922), P. mirabilis (ATCC-25933) following the same protocol as discussed in the literature [43][44][45][46][47][48][49][50][51][52][53].…”