Transition metal complexes of triazole-based bioactive ligands: synthesis, spectral characterization, antimicrobial, anticancer and molecular docking studies

Deswal, Yogesh; Asija, Sonika; Kumar, Deepak; Jindal, Deepak Kumar; Chandan, Gourav; Panwar, Vivek; Saroya, Sonia; Kumar, Naresh

doi:10.1007/s11164-021-04621-5

Cited by 41 publications

(11 citation statements)

References 66 publications

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“…The biological action of this motif is probably due to its high dipole character, strong hydrogen bonding capacity, high solubility, and rigidity. [ 17 ] Transition metal complexes with triazole based Schiff base ligands are exclusively studied due to their enormous biological applications, enzyme inhibitory properties, photochromic effects, and their imperative role in catalysis. [ 18 ] Therefore, designing and developing new triazole derived ligands and their resulting complexes as new metallodrugs is found to have great potential.…”

Section: Introductionmentioning

confidence: 99%

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Deswal

Asija

Tufail³

et al. 2023

Applied Organom Chemis

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In search of novel medications that could be effective in preventing and treating diabetes, four new [Co(L)(H 2 O) 3 ] (2), [Ni(L)(H 2 O) 3 ] (3), [Cu(L)(H 2 O)] (4) and [Zn(L)(H 2 O)] (5) complexes were synthesized from 4-Chloro-2-(((3-mercapto-5-[pyridin-4-yl]-4H-1,2,4-triazol-4-yl)imino)methyl)phenol ligand (H 2 L),which is obtained by the condensation of 5-chlorosalicylaldehyde with 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol in 1:1 ratio. The Fouriertransform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR)( 1 H and 13 C), elemental analyses, UV-visible, electron spin resonance (ESR), thermogravimetric analysis (TGA), scanning electron microscopy, energy dispersive X-ray analysis (EDAX), and X-ray diffraction (XRD) studies were used to successfully characterize the compounds. The ligand act in a tridentate manner and coordinates to the metal ions through N azomethine , O phenolic and S thiol functionalities. On the premise of their spectral and physico-analytical data; octahedral geometry for complex 2 and 3, while square planar and tetrahedral geometry for complex 4 and 5 was proposed. Theoretical calculations of the synthesized compounds have been performed by using density functional theory (DFT)/B3LYP method and parameters such as HOMO-LUMO energy values and MESP were calculated. In vitro examinations against α-amylase and α-glucosidase reveal promising results for the compounds. Nickel (II) complex(3) against α-amylase and zinc (II) complex (5) against α-glucosidase were found to be good inhibitors. Molecular docking experiments against the receptors 1BSI and 5ZCC were done to support the observation and considerable

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Section: Introductionmentioning

confidence: 99%

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Deswal

Asija

Tufail³

et al. 2023

Applied Organom Chemis

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“…The synthesized compounds ( 1–15 ) were tested for antimicrobial activity against four bacterial and two fungal strains. The serial dilution method was utilized in these assays and each experiment was repeated thrice [ 53 ]. Ciprofloxacin and Fluconazole were used as standard drugs for the assay.…”

Section: Resultsmentioning

confidence: 99%

Development of new tridentate ligands bearing hydrazone motif and their diorganotin(IV) complexes: Synthesis, spectral, antimicrobial and molecular docking studies

et al. 2022

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Current antimicrobial drug discovery and advancement attempts are aimed to identify new complexes that can work effectively against the infections caused by microbes. The aim of present study was to synthesize new diorganotin(IV) complexes of N' -((8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-nitrobenzohydrazide (H 2 L 1 ), N' -((8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-3-methoxybenzohydrazide (H 2 L 2 ) and N' -((8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-4-methylbenzohydrazide (H 2 L 3 ) Schiff base ligands with formula R 2 SnL 1−3 (where R = Me, Et, Bu and Ph). Various spectral and physico-analytical techniques such as elemental analysis, FT-IR, multinuclear ( 1 H, 13 C, 119 Sn) NMR, HRMS and XRD were utilized to structurally elucidate the prepared compounds. Based on the spectral data, it was concluded that ligands behave in a tridentate manner and coordinates to the central tin atom through ONO donor atoms. Furthermore, the synthesized compounds were examined for in vitro antimicrobial activity against four bacterial and two fungal strains. Among the examined compounds, Ph 2 SnL 1 complex (MIC = 0.0095 µmol/mL) was found to be the most active. To rationalize the preferred mode of interactions of the most active compound, a molecular docking study of compound Ph 2 SnL 1 was executed in the binding site of 3-oxoacyl-[acyl-carrier-protein] synthase 2 (FabF) of E. coli and sterol 14-alpha demethylase of C. albicans . Compound Ph 2 SnL 1 inhibits the microbes effectively and it could be an effective and new candidate for the modulation of various infections. Graphical Abstract New diorganotin(IV) complexes ( 4–15 ) were prepared from tridentate Schiff base hydrazones ( 1–3 ). The compounds were examined for in vitro antimicrobial activity. Further, molecular docking study of the most potent compound Ph 2 SnL 1 ( 7 ) was performed against the enzyme 3-oxoacyl-[acyl-carrier-protein] synthase 2 (FabF) of E. coli and sterol 14-alpha demethylase of C. albicans . Supplementary Information The online version contains supplementary material avail...

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“…Stretching vibrations of C═N of triazole ligand (L1) are shifted toward lower wavenumber from 1593 cm –1 which indicates the coordination of the nitrogen with the metal ions. [ 18 ] The ν (C═O) stretching frequency of the ligand at 1694 cm –1 indicating that the oxygen of C═O is involved in bonding with metal ion. [ 19 ] The ʋ (C═N) vibration of pyridine ring of the triazole (L1) ligand was shifted to lower frequency 1565 cm –1 as compared to the free ligand (1584 cm –1 ).…”

Section: Resultsmentioning

confidence: 99%

Crystal Structure, Magnetic Study, and Antidiabetic Activity of Ni(II) Complex with N,O‐Donors Ligands

Selmi

Saïd

Nasri

et al. 2022

Cryst. Res. Technol.

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Coordination chemistry of divalent ions involving multidentate ligands have received limited attention. The present work reports the synthesis of a mixed ligand complex of Ni(II) which is characterized by X-ray single-crystal diffraction, thermal, IR spectroscopy, magnetic, and in vitro antidiabetic activity. The atomic arrangement of the complex consists of two Ni(II) bridged by two ligands of organic molecules 5-(pyridin-2-yl)-1,2,4-triazol-1-ide (Ligand L1) and 2-(4-chlorobenzoyl)benzoate (Ligand L2) which throw their nitrogen and oxygen atoms. The Ni 2+ adopts a distorted octahedral geometry (NiO 2 N 2 (OH 2 ) 2 ). Infrared spectroscopy shows the existence of O─H, C─N, C═O, and absorption bands Ni─ (O,N). The thermal study proves that this compound undergoes dehydration then decomposition over a large domain of temperature. The magnetic properties of the complex demonstrate an antiferromagnetic interaction between two adjacent nickel atoms mediated by throw ligand (L1). The antidiabetic effect of this compound is supported by a biological test in vitro and is confirmed by molecular docking suggesting good inhibitory activity of the prepared complex for 𝜶-amylase.

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Transition metal complexes of triazole-based bioactive ligands: synthesis, spectral characterization, antimicrobial, anticancer and molecular docking studies

Cited by 41 publications

References 66 publications

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Development of new tridentate ligands bearing hydrazone motif and their diorganotin(IV) complexes: Synthesis, spectral, antimicrobial and molecular docking studies

Crystal Structure, Magnetic Study, and Antidiabetic Activity of Ni(II) Complex with N,O‐Donors Ligands

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