In present study, the synthesis, structural, quorum sensing inhibition and computational studies of a
new N’-{(E)-[3-(3,5-difluorophenyl)-1H-pyrazol-4-yl]methylidene}-4-methoxybenzohydrazide are
reported. The structure of the synthesized compound was confirmed by IR, 1H & 13C NMR and mass
spectral data. The single crystals of the compound was obtained using ethanol as a crystallization
solvent. The synthesized compound (C40H40N8O6F4) crystallizes in the monoclinic crystal system, C2/c
space group. Various intermolecular interactions were quantified using a 3D molecular Hirshfeld surface
computational method. The 2D fingerprint plots revealed that the H···H (35.9%) interactions have a
major contribution to the total molecular surface. DFT studies was performed to establish the molecular
crystal structure of the compound and to study the HOMO-LUMO energies of the compound. The
anti-quorum sensing study of the target compound on Chromobacterium violaceum (wild type) biosensor
revealed that quorum quenching activity at 300 μg/mL. Interestingly, quantitative assay exhibited
more than 80% of quorum sensing inhibition without interfering cell growth (p < 0.05). Molecular
docking studies of the compound on CviR protein (PDB: 3QP8) confirmed the observed activity
through strong hydrogen bonding interaction with the amino acids in the binding pocket.
The present investigation was carried out to study the effect of bromine on the biological activity of pyrazolines. Some previously synthesized substituted pyrazolines were brominated by bromine in acetic acid. The synthesized bromo-benzothiazolopyrazolines were characterized by elemental analysis, IR and PMR spectra. The synthesized bromo-benzothiazolopyrazolines were subjected to in-vitro antimicrobial activity against various pathogenic bacteria.
In present study, the novel thiazolidinone derivatives were designed and synthesized. The formation
of the target compounds was confirmed by the elemental analyses, FT-IR, mass spectroscopy and 1H
NMR spectroscopy. These derivatives were subjected to antibacterial and antioxidant activities. The
antibacterial results revealed that these derivatives were selectively active against Gram-negative
Pseudomonas aeruginosa bacteria. Also, these derivatives displayed a good DPPH radical scavenging
effect. Drosophila melanogaster flies were used for evaluating the toxic impact of novel thiazolidinone
derivatives.
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