Synthesis, characterization, theoretical calculations of novel benzoic acid based azo molecules and their use in effective extraction of Hg(II) ions from aqueous medium

Nurmyradova, Mahri; Tilki, Tahir; Dede, Bülent; Sezgin, Barış

doi:10.1016/j.molliq.2022.120150

Cited by 3 publications

(2 citation statements)

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“…Azo compounds have been studied extensively for their potential use as drugs in various therapeutic areas [14,15] . The need for new azo compounds for leukemia treatment arises due to factors such as drug resistance, limited specificity, and side effects associated with current therapies.…”

Section: Introductionmentioning

confidence: 99%

“…[11][12][13] Azo compounds have been studied extensively for their potential use as drugs in various therapeutic areas. [14,15] The need for new azo compounds for leukemia treatment arises due to factors such as drug resistance, limited specificity, and side effects associated with current therapies. Developing novel Azo compounds offers the potential to target leukemia cells more effectively, overcome biological barriers, and provide personalized treatment options based on individual patient characteristics.…”

Section: Introductionmentioning

confidence: 99%

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Exploring the Potential of Azo Compounds in Leukemia Treatment: Synthesis and Characterization of New Derivatives with Dimedone and Meldrum's Acid End Groups

Güney,

Dilek,

Sezgin

et al. 2023

ChemistrySelect

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This scholarly investigation presents pioneering drug candidates for combating leukemia, distinguished by reduced side effects and elevated efficacy. The study focuses on azo compounds for their selective targeting against cancerous cells, and customizable properties. Novel azo compounds, DMTPC and DMTPD, were skillfully synthesized via diazotization of 3‐(4‐Methyl‐1H‐imidazol‐1‐yl)‐5‐(trifluoromethyl)aniline with dimedone and meldrum‘s acid. Comprehensive characterization employed advanced analytical techniques like 1H‐NMR, 13C‐NMR, LC‐MS, FT‐IR, and XRD. UV‐Vis and fluorescence spectrophotometers scrutinized absorption and fluorescence properties in diverse solvents. Theoretical DFT computations provided optimized geometries, vibrational frequencies, NMR chemical shifts, absorption wavelengths, HOMOs‐LUMOs, Mulliken charges, and molecular orbital energies. Encouragingly, experimental and theoretical values aligned well. ADME properties and toxicity profiles were evaluated using online web servers. Molecular dynamics simulations explored interactions of DMTPC and DMTPD with the leukemia inhibitory factor protein (PDB ID: 1EMR) compared to Nilotinib. Molecular docking studies indicated DMTPC′s promising potential with a binding energy of −8.8 kcal/mol, approaching Nilotinib's −9.4 kcal/mol. This investigation accentuates the burgeoning research paradigm of exploiting azo compounds in the formidable battle against leukemia, opening new avenues for breakthroughs in this field.

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Section: Introductionmentioning

confidence: 99%