(E)-2-[(2-hydroxybenzylidene)amino]phenylarsonic acid Schiff base: Synthesis, characterization and theoretical studies

Percino, M. Judith; Cerón, Margarita; Castro, María Eugenia; Ramírez, Raúl Madrid; Soriano, Guillermo; Chapela, Víctor M.

doi:10.1016/j.molstruc.2014.10.030

Cited by 9 publications

(1 citation statement)

References 38 publications

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“…Compounds derived from aromatic ortho hydroxy Schiff bases are of particular interest due to their nonlinear optical properties and abilities for polymerization and metal bond formation. Moreover, various activity studies such as antifungal, antimicrobial, antimalarial, trypanocidal, antiproliferative, anti-inflammatory, antipyretic, herbicide and antitumor activity such compounds are available in the literature [20,21,33,34,22,[26][27][28][29][30][31][32].…”

Section: Introductionmentioning

confidence: 99%

Potansiyel JNK1 İnhibe Edici Aktiviteye Sahip 2-((4-(dimetilamino)benziliden)amino)-5-metilfenol’ün Sentezi, Teorik Çalışmaları, Sitotoksisitesi

Karaosmanoğlu

Berber

Uysal

2023

Süleyman Demirel Üniversitesi Sağlık Bilimleri Dergisi

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Cisplatin, doxorubicin, hydroxycamptothecin, leucovorin, vincristine and 5-fluorouracil resistance of cancer cells are associated with the activities of C-Jun N-Terminal Kinase 1 (JNK1). Inhibition of the JNK1 by pharmacological agents could be a beneficial attempt for reversing the chemoresistance of various cancer cells. However, there is no FDA-approved JNK inhibitor for safe use in clinics in today’s clinics. In this study, a Schiff base 2-((4-(dimethylamino)benzylidene)amino)-5-methylphenol, (7S4) has been synthesized and characterized by 1H, 13C-NMR, FT-IR and elemental analysis. The stable geometry of 7S4 has been determined by DFT method with Gaussian09 program (B3LYP/6-311g++(d,p))). The Gibbs Free energies, stable tautomer forms, H-bond, Mulliken charges, dipole moment, natural bond orbital (NBO), HOMO, LUMO and band gap energy (EGAP), molecular electrostatic potential (MEP) and solvent accessibility surface areas (SASA) have been calculated. Drug-likeness, anticancer and JNK1 inhibitory activities of 7S4 have been evaluated. Enol tautomer form of trans 7S4 was characterized as the most stable structure. 7S4 was observed to be a reactive compound in chemical reactions with a low EGAP value. In addition, high and low electron density regions of 7S4 are responsible for the establishment of chemical bonds in biological systems. 7S4 exhibited strong druggability with the agreement on Lipinski, Ghose, Veber, Egan, and Muegge rules. Cytotoxicity tests and molecular docking revealed that 7S4 poses a potential JNK1 inhibitor activity.

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Section: Introductionmentioning

confidence: 99%

Potansiyel JNK1 İnhibe Edici Aktiviteye Sahip 2-((4-(dimetilamino)benziliden)amino)-5-metilfenol’ün Sentezi, Teorik Çalışmaları, Sitotoksisitesi

Karaosmanoğlu

Berber

Uysal

2023

Süleyman Demirel Üniversitesi Sağlık Bilimleri Dergisi

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Salophen Type ONNO Donor Schiff Base Complexes: Synthesis, Characterization, Bioactivity, Computational, and Molecular Docking Investigation

Gogoi

Barman

2023

Inorganica Chimica Acta

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Synthesis, characterization and anti-fungal evaluation of Ni(II) and Cu(II) complexes with a derivative of 4-aminoantipyrine

Tyagi

Chandra

Tyagi

et al. 2017

Journal of Taibah University for Science

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Transition metal complexes of Ni(II) and Cu(II) metal ions with the general stoichiometry [M(L)X]X and [M(L)SO 4 ], where M = Ni(II) and Cu(II), L = (1E)-N-((5-((E)-(2,3-dimethyl-1-phenyl-4-pyrazolineimino)methyl)thiophen-2-yl)methylene)-2,3-dimethyl-1-phenyl-4-pyrazolineamine and X = Cl − , NO 3 − and SO 4 2− , have been synthesized and characterized. The synthesized ligand and metal complexes were characterized by 1 H NMR, IR, mass spectrometry, UV-Vis spectra and EPR. In molecular modelling, the geometries of the Schiff's base and metal complexes were fully optimized with respect to the energy using the 6-31g(d,p) basis set. The nickel(II) complexes were found to have octahedral geometry, whereas the copper(II) complexes were of tetragonal geometry. The covalency factor (β) and orbital reduction factor (k) suggest the covalent nature of the complexes. To develop broad spectrum new molecules against seed-borne fungi, the minimum inhibitory concentration (MIC) of the ligand and its metal complexes was evaluated by the serial dilution method.

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(E)-2-[(2-hydroxybenzylidene)amino]phenylarsonic acid Schiff base: Synthesis, characterization and theoretical studies

Cited by 9 publications

References 38 publications

Potansiyel JNK1 İnhibe Edici Aktiviteye Sahip 2-((4-(dimetilamino)benziliden)amino)-5-metilfenol’ün Sentezi, Teorik Çalışmaları, Sitotoksisitesi

Potansiyel JNK1 İnhibe Edici Aktiviteye Sahip 2-((4-(dimetilamino)benziliden)amino)-5-metilfenol’ün Sentezi, Teorik Çalışmaları, Sitotoksisitesi

Salophen Type ONNO Donor Schiff Base Complexes: Synthesis, Characterization, Bioactivity, Computational, and Molecular Docking Investigation

Synthesis, characterization and anti-fungal evaluation of Ni(II) and Cu(II) complexes with a derivative of 4-aminoantipyrine

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