Metal complexes of quinolin-8-yl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate: Spectral, XRD, thermal, cytotoxic, molecular docking and biological evaluation

Manjuraj, T.; Krishnamurthy, G.; Bodke, Yadav D.; Naik, H.S. Bhojya

doi:10.1016/j.molstruc.2017.07.020

Cited by 18 publications

(9 citation statements)

References 31 publications

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“…The B to A conformational change, [125] with the increased positive base-pair tilting in A DNA as a result of the hydrophobic interaction of 5,6-methyl groups, is consistent with the increased positive base-pair tilting in A DNA as a result of the hydrophobic interaction of 5,6-methyl groups. [126][127][128]…”

Section: Circular Dichroismmentioning

confidence: 99%

“…Also, Glide (XP) [133] and GOLD [132] predicted the poses consistently with a 90 % accuracy. [126,135,144] Molecular docking involves two steps, firstly the blind docking method and then the docking calculation. The blind docking method is used to determine the potential binding sites by scanning through the entire surface of the DNAcomplex and DNA-ligand adduct.…”

Section: Molecular Dockingmentioning

confidence: 99%

“…Here, the drugs can cause the cell to undergo either apoptosis or necrosis, and this can act as a key factor in determining the drug's anticancer efficacy. [126] To develop a potential anticancer drug, the cytotoxicity and selectivity of different transition metal complexes were considered, and it was found that they play a major role in influencing the design of the drug. The interactions of diverse transition metal ion complexes with these small biomolecules such as amino acids, peptides, and nucleotides and their interactions with DNA are taken into consideration while studying its potential anticancer activity.…”

Section: Cytotoxicity Studiesmentioning

confidence: 99%

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In vitro Analytical Techniques as Screening Tools to investigate the Metal chelate‐DNA interactions

et al. 2023

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Deoxyribose nucleic acid (DNA) is found to be the most efficient pharmacological target of many synthetic molecules which are deemed as potential drugs with clinical applications. DNA binding agents are known to regulate several cell functions (gene expression and replication) by adopting various protocols which include the annihilation of the cell membrane, interruption in protein synthesis, and irreversible binding to cell receptors. Recently, several studies have explored fundamental aspects of drug-DNA interactions, providing new insights into the driving forces that render the formation of the drug-DNA complex. In order to study and understand these biologically important reaction mechanisms, several screening tools have been devised and the specificity of drug molecules binding to DNA were studied in detail. This review will discuss the utilization of various analytical tools which include UV-vis spectroscopy, fluorescence spectroscopy, circular dichroism, viscosity measurement, Raman spectroscopy, cyclic voltammetry, and DNA fragmentation assay used for studying drug binding mode and the mechanism involved.

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Section: Circular Dichroismmentioning

confidence: 99%

Section: Molecular Dockingmentioning

confidence: 99%

Section: Cytotoxicity Studiesmentioning

confidence: 99%

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In vitro Analytical Techniques as Screening Tools to investigate the Metal chelate‐DNA interactions

et al. 2023

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“…The tractability of Schiff base ligands can be enhanced by hydrogenation of (C=N) bands, and they should thus coordinate metal ions more easily. For these explanations, condensed Schiff bases have newly expanded significant consideration (11). Herein we report the synthesis and characterization of furan-2ylmethylidene-hydrazinylidene-ethyl-phenol [AF], which is derived from 2-[(1E)-1hydrazinylidene-ethyl] phenol and 2furancarboxaldehyde and it's metal(II) complexes.…”

Section: Introductionmentioning

confidence: 99%

Spectral, DFT, molecular docking and antibacterial activity studies of Schiff base derived from furan-2-carbaldehyde and their metal(II) complexes

Manjuraj

Tcm

Jayanna³

et al. 2020

Journal of the Turkish Chemical Society Section A: Chemistry

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Metal(II) complexes of cobalt(II) (1), copper(II) (2), nickel(II) (3), and zinc(II) (4) with Schiff base ligand derived from furan-2-carbaldehyde were synthesized and elucidated by IR, electronic, mass, 1 H NMR, and magnetic susceptibility measurements. Using DFT-based optimization of structures, bond length, bond angle, HOMO-LUMO energy gaps, and molecular electrostatic potential maps (MEP) of ligand and complexes 1-3 were theoretically calculated at the B3LYP/LANL2DZ level of theory. HOMO-LUMO energy gap was calculated which allowed the calculation of comparable properties like chemical hardness, chemical inertness, and chemical potential. The Ni(II) and Cu(II) complexes showed potent inhibition against all the bacterial strains. In comparison with antibacterial activity, molecular docking studies were carried out with protein receptor SEC2 (PDB: 1STE) in Staphylococcus aureus.

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“…Possible impacts of quinoline derivatives such as chloroquine and hydroxychloroquine on the COVID-19 virus are reported to act by affecting the viral receptor S protein to which the virus binds. [2] Quinoline derivatives have a wide variety of biological activities such as antimalarial, [3][4][5] antifungal, [6][7][8][9] antitumor, [9][10][11][12][13] antitubercular, [13,14] HIV replication inhibitor, [15] antibacterial, [16,17] antiparasitic, [18] antiviral, [19] and carbonic anhydrase enzyme inhibition [20][21][22] properties according to the substituents they contain. For example, the antibiotic properties of quinolines were first determined in the 1960s.…”

mentioning

confidence: 99%

Synthesis of new 7‐amino‐3,4‐dihydroquinolin‐2(1H)‐one‐peptide derivatives and their carbonic anhydrase enzyme inhibition, antioxidant, and cytotoxic activities

Küçükbay

Gönül

Küçükbay

et al. 2021

Archiv der Pharmazie

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Six new monopeptides, seven new dipeptides, and two deprotected monopeptide dihydroquinolinone conjugates were prepared by the benzothiazole-mediated method and their structures were confirmed by nuclear magnetic resonance, mass, infrared spectroscopy, and elemental analysis methods. The human carbonic anhydrase (hCA) I and hCA II enzyme inhibition activities of the compounds were determined using the stopped-flow instrument.The synthesized peptide-dihydroquinolinone conjugates 2, 3, 6, 10, 13, and 15 showed inhibition against the hCA II enzyme in the range of 15.7-65.7 µM. However, none of the compounds showed inhibition of hCA I at a concentration of 100 µM. The antioxidant activities of the compounds were also examined using the DPPH (2,2diphenyl-1-picrylhydrazyl) radical scavenging method at concentrations of 12.5-125 µg/ml, but when compared with the standard antioxidant compounds αtocopherol and butylated hydroxyanisole (BHA), weak antioxidant activities were detected. The cytotoxic effects of four compounds against the A549 and BEAS-2B cell lines were also investigated. Among the compounds studied, compound 7 was found to be most effective, with the IC 50 values on the A549 cells for 48 and 72 h being 26.87 and 9.979 µg/ml, respectively, and the IC 50 values on the BEAS-2B cells being >100 µg/ml. None of the tested compounds showed antimicrobial activity in the concentration range (800-1.56 µg/ml) studied.

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Metal complexes of quinolin-8-yl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate: Spectral, XRD, thermal, cytotoxic, molecular docking and biological evaluation

Cited by 18 publications

References 31 publications

In vitro Analytical Techniques as Screening Tools to investigate the Metal chelate‐DNA interactions

In vitro Analytical Techniques as Screening Tools to investigate the Metal chelate‐DNA interactions

Spectral, DFT, molecular docking and antibacterial activity studies of Schiff base derived from furan-2-carbaldehyde and their metal(II) complexes

Synthesis of new 7‐amino‐3,4‐dihydroquinolin‐2(1H)‐one‐peptide derivatives and their carbonic anhydrase enzyme inhibition, antioxidant, and cytotoxic activities

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