2-((E)-(6-fluorobenzo[d]thiazol-2-ylimino) methyl)-4-chlorophenol; synthesis, characterization, crystal structure, Hirshfeld surface analysis and BSA binding studies

Kumar, S. Suresh; Chidananda, Vasantha Kumar Basappa; Doddarevanna, Revanasiddappa Hosakere; Vivek, H. K.; Kaur, Manpreet; Jasinski, Jerry P.

doi:10.1016/j.molstruc.2017.04.050

Cited by 3 publications

(1 citation statement)

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“…In continuation of our previous research work [35] on the detailed study of L 1 , the present research paper describes the synthesis of imine-based complexes of essential transition metals involving Co(III) and Cu(II) and mixed ligand complexes in presence of 1,10-phenanthroline. The prepared complexes were subjected to spectroscopic structural elucidation.…”

Section: Introductionmentioning

confidence: 98%

Synthesis and Characterization of Cobalt(III) and Copper(II) Complexes of 2-((E)-(6-Fluorobenzo[d]thiazol-2-ylimino) methyl)-4-chlorophenol: DNA Binding and Nuclease Studies—SOD and Antimicrobial Activities

Savithri

Kumar

Vivek³

et al. 2018

International Journal of Spectroscopy

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A bidentate (N- and O-) imine-based ligand(L1)and its metal complexes of types [CuII(L1)2](C1), [CuII(L1)(Phen)](C2), [CoIII(L1)2](C3), and [CoIII(L1)(Phen)](C4)(L1= 2-((E)-(6-fluorobenzo[d]thiazol-2-ylimino)methyl)-4-chlorophenol and phen = 1,10-phenanthroline) were synthesized as potential chemotherapeutic drug candidates. The prepared complexes were structurally characterized by spectral techniques (NMR, FT-IR, LC-MS, EPR, and electronic absorption), thermogravimetric analysis (TGA/DTA), magnetic moment, and CHNO elemental analysis. Spectroscopic studies suggested the distorted octahedral structure for all complexes.In vitrobioassay studies include binding and nuclease activities of the ligand and its complexes with target calf thymus- (CT-) DNA were carried out by employing UV-Vis, fluorescence spectroscopy, viscosity, and gel electrophoresis techniques. The extent of binding propensity was determined quantitatively byKbandKsvvalues which revealed a higher binding affinity for C2and C4as compared to C1and C3. In addition, the scavenging superoxide anion free radical (O∙-2) activity of metal complexes was determined by nitroblue tetrazolium (NBT) light reduction assay. Molecular docking studies with DNA and SOD enzyme were also carried out on these compounds. The antimicrobial study has shown that all the compounds are potential antibacterial agents against Gram-negative bacterial strains and better antifungal agents with respect to standard drugs used.

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Section: Introductionmentioning

confidence: 98%

Synthesis and Characterization of Cobalt(III) and Copper(II) Complexes of 2-((E)-(6-Fluorobenzo[d]thiazol-2-ylimino) methyl)-4-chlorophenol: DNA Binding and Nuclease Studies—SOD and Antimicrobial Activities

Savithri

Kumar

Vivek³

et al. 2018

International Journal of Spectroscopy

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Crystal structure, Hirshfeld analysis and HSA interaction studies of N'-[(E)-(5-bromothiophen-2-yl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide

Kumar

Chandra³

et al. 2019

Journal of Molecular Structure

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Synthesis of Dihydrazones as Potential Anticancer and DNA Binding Candidates: A Validation by Molecular Docking Studies

Sridhara

Rakesh

Manukumar

et al. 2020

ACAMC

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Background: Accounting for mortality nearly one in four of human and second highest leading cause of death worldwide. Every year, about 10 million new cancers are diagnosed and causing major health issues in both developing and developed countries. Methods: A series of new dihydrazones were synthesized and screened for in vitro anticancer activity against three different MDA-MB-231, A546 and MCF7 cell lines and validated by DNA binding and molecular docking approaches. Result: In the present investigations, synthesized compounds 21, 22, 23 and 24 exhibited potent anticancer activity against tested cancer cell lines and DNA binding study using methyl green comparing to Doxorubicin and ethidium bromide as a positive control respectively. Conclusion: The Structure Activity Relationship (SAR) showed that the electron withdrawing groups (-Cl, -NO2, - F, and -Br) favored the DNA binding studies and anticancer activity whereas, electron donating groups (-OH and - OCH3) showed moderate activity. In the molecular docking study, binding interactions of the most active compounds 21, 22, 23 and 24 stacked with A-T rich regions of the DNA minor groove by surface binding interactions were confirmed. Further, the tuning of active analogs for targeted therapy was warranted.

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2-((E)-(6-fluorobenzo[d]thiazol-2-ylimino) methyl)-4-chlorophenol; synthesis, characterization, crystal structure, Hirshfeld surface analysis and BSA binding studies

Cited by 3 publications

References 40 publications

Synthesis and Characterization of Cobalt(III) and Copper(II) Complexes of 2-((E)-(6-Fluorobenzo[d]thiazol-2-ylimino) methyl)-4-chlorophenol: DNA Binding and Nuclease Studies—SOD and Antimicrobial Activities

Synthesis and Characterization of Cobalt(III) and Copper(II) Complexes of 2-((E)-(6-Fluorobenzo[d]thiazol-2-ylimino) methyl)-4-chlorophenol: DNA Binding and Nuclease Studies—SOD and Antimicrobial Activities

Crystal structure, Hirshfeld analysis and HSA interaction studies of N'-[(E)-(5-bromothiophen-2-yl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide

Synthesis of Dihydrazones as Potential Anticancer and DNA Binding Candidates: A Validation by Molecular Docking Studies

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