Ni(II) and Cu(II) Complexes With a Tridentate (O,N,O) Azo Dye Antipyrine‐Based Ligand: Synthesis, Spectral Characterization, Cytotoxicity, and In Silico Approaches DOI
Azal Shakir Waheeb, Hussein Ali Kadhim Kyhoiesh

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(5)

Опубликована: Апрель 8, 2025

ABSTRACT The manuscript describes the simple and facile synthesis of a new azo‐based ligand (E)‐4‐((5‐amino‐2‐hydroxyphenyl)diazenyl)‐1,5‐dimethyl‐2‐phenyl‐1,2‐dihydro‐3H‐pyrazol‐3‐one (AHAP), its coordination complexes (1–2) with various transition metals including nickel copper, respectively. each synthesized were characterized by using analytical techniques melting point, molar conductivities, magnetic susceptibilities, elemental analysis (CHN), FT‐Infrared, UV–Vis spectroscopy, mass spectra, 1 H 13 C NMR, FE‐SEM, XRD, thermal analysis. results showed that chelated in tridentate mode (O,N,O), leading to octahedral geometry toward present metal ions where Ni(II) Cu(II) exhibit outer sphere hybridization. calculated particle size values compounds reached 68.93, 71.52, 77.94 nm for ligand, Ni(II), chelates, respectively, applying Debye–Scherrer equation on XRD patterns. cytotoxicity Cu(III)‐complex (2) was evaluated an MTT cytotoxic study against lung cancer cell lines (A‐549) healthy human (HdFn). complex exhibited greater than A‐549 line. It is promising use create novel anticancer medications. Quantum chemical calculations solid carried out utilizing DFT B3LYP module. Furthermore, molecular docking studies conducted protein, associated FGFR1 (PDB: 5UR1), MOE 2015 program. most potent inhibitory effects receptor tyrosine kinase integral cellular growth differentiation. Additionally, silico ADMET predicted favorable pharmacokinetic toxicity profiles molecules, indicating oral drug‐like properties nontoxic nature.

Язык: Английский

Ni(II) and Cu(II) Complexes With a Tridentate (O,N,O) Azo Dye Antipyrine‐Based Ligand: Synthesis, Spectral Characterization, Cytotoxicity, and In Silico Approaches DOI
Azal Shakir Waheeb, Hussein Ali Kadhim Kyhoiesh

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(5)

Опубликована: Апрель 8, 2025

ABSTRACT The manuscript describes the simple and facile synthesis of a new azo‐based ligand (E)‐4‐((5‐amino‐2‐hydroxyphenyl)diazenyl)‐1,5‐dimethyl‐2‐phenyl‐1,2‐dihydro‐3H‐pyrazol‐3‐one (AHAP), its coordination complexes (1–2) with various transition metals including nickel copper, respectively. each synthesized were characterized by using analytical techniques melting point, molar conductivities, magnetic susceptibilities, elemental analysis (CHN), FT‐Infrared, UV–Vis spectroscopy, mass spectra, 1 H 13 C NMR, FE‐SEM, XRD, thermal analysis. results showed that chelated in tridentate mode (O,N,O), leading to octahedral geometry toward present metal ions where Ni(II) Cu(II) exhibit outer sphere hybridization. calculated particle size values compounds reached 68.93, 71.52, 77.94 nm for ligand, Ni(II), chelates, respectively, applying Debye–Scherrer equation on XRD patterns. cytotoxicity Cu(III)‐complex (2) was evaluated an MTT cytotoxic study against lung cancer cell lines (A‐549) healthy human (HdFn). complex exhibited greater than A‐549 line. It is promising use create novel anticancer medications. Quantum chemical calculations solid carried out utilizing DFT B3LYP module. Furthermore, molecular docking studies conducted protein, associated FGFR1 (PDB: 5UR1), MOE 2015 program. most potent inhibitory effects receptor tyrosine kinase integral cellular growth differentiation. Additionally, silico ADMET predicted favorable pharmacokinetic toxicity profiles molecules, indicating oral drug‐like properties nontoxic nature.

Язык: Английский

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