Design, Spectroscopic Analysis, DFT Calculations, Catalytic Evaluation, and Comprehensive In Silico and In Vitro Bioactivity Studies, Including Molecular Docking, of Novel Co(II) Complexes of 2-Hydroxy-5,3-(phenylallylidene)aminobenzoic Acid DOI

Shalima Kumari,

Maridula Thakur, Sachin Kumar

et al.

Journal of Inorganic and Organometallic Polymers and Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 13, 2024

Language: Английский

Design and cytotoxic activity of thiazolidinones via one-pot, three component reaction under microwave and traditional method DOI Creative Commons
Hanan Salah, Nadia A. A. Elkanzi, Azhaar T. Alsaggaf

et al.

Bulletin of the Chemical Society of Ethiopia, Journal Year: 2024, Volume and Issue: 38(2), P. 481 - 491

Published: Jan. 23, 2024

Treatment of sulfamethoxazole (SMZ ) (1) with different aromatic aldehydes 2a-f within few minutes (5-8 min) afforded the corresponding Schiff bases 3a-f which were subjected to react thioglycolic acid (4) under refluxing toluene/dimethlformamide (DMF) in (1:1) ratio for 12-17 h, yielded N-(5-methylisoxazol-3-yl)-4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzenesulfon- amide derivatives 5a-f. On other hand, same products 5a-f obtained when SMZ was treated a mixture and 4 via one-pot, three-component reaction microwave irradiation. The key advantages this process high yields 79-88%, shorter times 6-11 min., easy work-up, problems associated toxic solvent use (cost, safety, pollution) avoided. structures newly compounds elucidated by elemental spectral analyses. Three 5a, 5b 5f tested cytotoxicity against four human cancer cell lines MCF-7, HePG2, HCT 116 PC-3. Compound exhibited most potent cytotoxic properties on HePG2 Furthermore, it showed inhabitory effect MCF-7 cells. KEY WORDS: Sulfamethoxazole, 4-Thiazolidinones, bases, Multicomponent reaction, Microwave, Traditional methods cytotoxicity Bull. Chem. Soc. Ethiop. 2024, 38(2), 481-491. DOI: https://dx.doi.org/10.4314/bcse.v38i2.15

Language: Английский

Citations

3

Two New Mononuclear Mn(II) and Cu(II) Mixed‐Ligand Complexes Incorporating 2,6‐Di(1H‐pyrazol‐1‐yl)pyridine and 2‐Hydroxy Naphthaldehyde‐Derived Schiff Base: Structural, Theoretical, and Phenoxazinone Synthase Mimicking Activity DOI Open Access
Aly Abdou

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 38(11)

Published: Aug. 26, 2024

ABSTRACT The current investigation involved the synthesis and detailed characterization of novel mixed‐ligand complexes Mn(II) (MnDPPNPH) Cu(II) (CuDPPNPH). These incorporate 2,6‐di(1H‐pyrazol‐1‐yl)pyridine (DPP) a Schiff base derived from 2‐hydroxy naphthaldehyde (NPH). synthesized revealed stoichiometric ratio 1:1:1 (metal:DPP:NPH), indicative an octahedral coordination geometry around centers, as represented by chemical formula [M (DPP)(NPH)(Cl)]. To elucidate their structural electronic properties, theoretical calculations were performed. facilitated optimization geometrical structures provided insights into molecular orbital characteristics complexes. MnDPPNPH CuDPPNPH demonstrated potential phenoxazinone synthase mimicking activity catalyzing aerial coupling o‐aminophenol (OAPh) to form phenoxazine‐2‐one (phenox). these was quantitatively assessed using Michaelis–Menten enzymatic kinetics. Various enzyme kinetics plots employed determine several kinetic parameters, including specificity constant turnover number (k cat ), which are crucial for understanding efficiency catalytic cycles. Remarkably, exhibited significantly higher numbers ) compared previously reported This finding suggests that new possess superior activity, highlighting effective catalysts reactions function synthase.

Language: Английский

Citations

3

Fabrication, Structural, DFT, Biological and Molecular Docking Studies of Fe(III), Ni(II), and Cu(II) Complexes Based on Schiff-base derived from benzene-1,4-diamine and 2-hydroxy-1-naphthaldehyde DOI
Hany M. Abd El‐Lateef, Mai M. Khalaf,

Mohamed Gouda

et al.

Journal of the Indian Chemical Society, Journal Year: 2024, Volume and Issue: unknown, P. 101385 - 101385

Published: Sept. 1, 2024

Language: Английский

Citations

3

Metal Complexes of Cobalt Chloride with Vinyl‐, Allyl‐ and Styrylbenzimidazole Ligands: Synthesis, Structure, and Properties DOI
Irina V. Sterkhova, L. N. Parshina, Lyudmila A. Grishchenko

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(36)

Published: Sept. 19, 2024

Abstract Three N‐substituted benzimidazole cobalt(II) complexes have been synthesized and fully characterized by elemental analysis, FT‐IR spectroscopy, X‐ray crystallography. The crystal packing formation features were studied AIM the energy nature of both weak noncovalent interactions in metal–ligand coordination bonds assessed. These N‐coordinated screened for antimicrobial activities against Gram‐negative ( Escherichia coli , Bacillus subtilis ) Gram‐positive Enterococcus durans bacteria. Minimal inhibitory concentrations (MIC = 6.2 mg/mL) found complex cobalt chloride with allylbenzimidazole ligands E. . Its activity is several times higher compared to reference gentamicin. Molecular docking made it possible consider binding metal vinyl‐, allyl‐ styrylbenzimidazole biological targets estimate their energy. meanings depend on protein ligand type, reaches 8 kcal/mol.

Language: Английский

Citations

2

Design, Spectroscopic Analysis, DFT Calculations, Catalytic Evaluation, and Comprehensive In Silico and In Vitro Bioactivity Studies, Including Molecular Docking, of Novel Co(II) Complexes of 2-Hydroxy-5,3-(phenylallylidene)aminobenzoic Acid DOI

Shalima Kumari,

Maridula Thakur, Sachin Kumar

et al.

Journal of Inorganic and Organometallic Polymers and Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 13, 2024

Language: Английский

Citations

2