25974-09-8Relevant academic research and scientific papers
Novel 3-arylfuran-2(5H)-one-fluoroquinolone hybrid: Design, synthesis and evaluation as antibacterial agent
Wang, Xu-Dong,Wei, Wei,Wang, Peng-Fei,Tang, Yun-Tao,Deng, Rui-Cheng,Li, Biao,Zhou, Sha-Sha,Zhang, Jing-Wen,Zhang, Lei,Xiao, Zhu-Ping,Ouyang, Hui,Zhu, Hai-Liang
, p. 3620 - 3628 (2014)
3-Arylfuran-2(5H)-one, a novel antibacterial pharmacophore targeting tyrosyl-tRNA synthetase (TyrRS), was hybridized with the clinically used fluoroquinolones to give a series of novel multi-target antimicrobial agents. Thus, twenty seven 3-arylfuran-2(5H)-one-fluoroquinolone hybrids were synthesized and evaluated for their antimicrobial activities. Some of the hybrids exhibited merits from both parents, displaying a broad spectrum of activity against resistant strains including both Gram-negative and Gram-positive bacteria. The most potent compound (11) in antibacterial assay shows MIC50 of 0.11 μg/mL against Multiple drug resistant Escherichia coli, being about 51-fold more potent than ciprofloxacin. The enzyme assays reveal that 11 is a potent multi-target inhibitor with IC50 of 1.15 ± 0.07 μM against DNA gyrase and 0.12 ± 0.04 μM against TyrRS, respectively. Its excellent inhibitory activities against isolated enzymes and intact cells strongly suggest that 11 deserves to further research as a novel antibiotic.
Syntheses, crystal structures, antioxidant, in silico DNA and SARS-CoV-2 interaction studies of triorganotin(IV) carboxylates
Ali, Tariq,Muhammad, Niaz,Ali, Zafar,Samad, Abdus,Ibrahim, Mohammad,Ikram, Muhammad,Rehman, Sadia,Shujah, Shaukat,Khan, Gul Shahzada,Wadood, Abdul,Ali, Saqib,Schulzke, Carola
, (2021)
Triorganotin(IV) carboxylate complexes R3SnL, where R = C4H9 (1), CH3 (2) and L = 2-chlorophenyl ethanoate, were synthesized and characterized by elemental analysis, FT-IR, NMR (1H, 13C, 119Sn) and X-ray single crystal analysis. The solid state analyses confirmed a bridging bidentate coordination mode for the carboxylate ligand rendering the tin ion a penta-coordinated center in the synthesized complexes. NMR spectra revealed a change in the coordination number (5→4) for tin when in the solution. The structural geometry and the electronic properties of complexes were calculated by using the density functional theory (DFT) method at B3LYP level 6–31G(d, p) and Lanl2DZ basis sets. A fairly good agreement was found between the observed and theoretical bond length and bond angle values for the complex (1) and (2). The in vitro antioxidant potential of the complexes was investigated by DPPH, ferrous ion chelation, ferric ion reducing, total antioxidant and hydroxyl free radical scavenging assays. The nature of the tin bonded R groups has apparently a significant impact on the antioxidant activity of the complexes. Molecular docking studies suggest intercalation as possible mode of complex-DNA interactions. Docking studies also confirm that interactions of the two complexes with some active site residues of SARS-CoV-2 nucleocapsid protein and angiotensin-converting enzyme 2 (ACE2) are probable.
Designing, spectroscopic and structural characterization and evaluation of biological potential as well as molecular docking studies of Zn(II)-based metallo-pharmaceuticals
Tahir, Mehwish,Sirajuddin, Muhammad,Zubair, Muhammad,Haider, Ali,Nadman, Akhtar,Ali, Saqib,Perveen, Fouzia,Tanveer, Haris Bin,Tahir, Muhammad Nawaz
, p. 1689 - 1702 (2021/01/07)
Six new Zn(II) carboxylates derived from 2-(3-chlorophenyl) acetic acid, 2-(2-chlorophenyl) acetic acid and 2-(2-methoxy phenyl) acetic acid were synthesized and characterized by FTIR, multinuclear NMR (1H and 13C NMR) and single-crystal XRD. The geometry around the Zn atom in complexes 1 and 2 is distorted tetrahedral and distorted trigonal bipyramidal, respectively. The compounds were assessed for DNA interaction using UV–visible spectroscopy and viscosity measurements approving a partial intercalation mode of interaction. The interaction of compounds with CTAB was carried out by conductometric method showing a strong interaction with CTAB, which is noticeable from relatively higher CMC and negative Gibbs free energy of micellization. The IC50 values of the synthesized compounds were highly efficient in contrast to the standard Glucantime. The activity represents a higher multitude interaction that might be a cause of enhanced antileishmanial activity. The results of cytotoxicity revealed that the activity of the compounds is higher even at lower concentrations which make them biocompatible as potent drug applicants for further researches in this field. Molecular docking studies also confirm the partial intercalation for the screened compounds with DNA.
