Five new cobalt(II) complexes based on indazole derivatives: synthesis, DNA binding and molecular docking study

2019 ◽  
Vol 72 (4) ◽  
pp. 645-663 ◽  
Author(s):  
Bing-Fan Long ◽  
Qin Huang ◽  
Shu-Long Wang ◽  
Yan Mi ◽  
Meng-Fan Wang ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Docking Study ◽  
Molecular Docking Study

Synthesis, Antiproliferative and Cytotoxic Activities, DNA Binding Features and Molecular Docking Study of Novel Enamine Derivatives

2020 ◽  
Vol 17 (7) ◽  
Author(s):  
Meliha Burcu Gürdere ◽  
Ali Aydin ◽  
Belkız Yencilek ◽  
Fatih Ertürk ◽  
Oğuz Özbek ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Docking Study ◽  
Cytotoxic Activities ◽  
Molecular Docking Study

scholarly journals Synthesis, Computational studies, DNA-binding and cytotoxicity of 4-Thiazolidonone-cyclopropyl hybrid

2021 ◽  
Author(s):  
MD MUSHTAQUE ◽  
Fernando Avecilla ◽  
Mariyam Jahan ◽  
Irfan Ahmad ◽  
Mohd Saeed ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Computational Study ◽  
Docking Study ◽  
Moderate Activity ◽  
Binding Studies ◽  
Molecular Docking Study ◽  
Spectral Techniques ◽  
Ct Dna

Abstract A derivative of 4-Thiazolidinone derivative endowing cyclopropyl ring substituted at 3-nitrogen positioned was synthesized that was further evaluated against cancerous cell lines MCF-7. The structure of synthesized compound (6) was well characterized by different spectral techniques such as FT-IR, UV-Visible, 1H-NMR, 13C-NMR and mass spectrophotometer. X-ray single crystal structure and Computational study (DFT) study revealed that compound (6) adopted (2Z, 5Z)-configuration. Preliminary In vitro study suggested that compound (6) displayed moderate activity bearing IC50(161.0 μM). The DNA binding studies (Ct-DNA) with compound (6) was performed. The study suggested that bound with DNA exhibiting binding constant Kb = 3.3 x 104 LMol-1). Furthermore, the binding study was complemented by Molecular docking possessingDNA binding studies (Ct-DNA) were performed. Final compound (6) exhibited moderate cytotoxicity effect (IC50 = 161.0 μM) and DNA binding ability (Kb = 3.3 x 104 LMol-1). The experimental findings were completed by molecular docking study.

DNA Binding, amelioration of oxidative stress, and molecular docking study of Zn(II) metal complex of a new Schiff base ligand

2018 ◽  
Vol 71 (14) ◽  
pp. 2165-2182 ◽  
Author(s):  
Dipu Kumar Mishra ◽  
Uttam Kumar Singha ◽  
Ananya Das ◽  
Somit Dutta ◽  
Pallab Kar ◽  
...  
Keyword(s):  
Oxidative Stress ◽  
Schiff Base ◽  
Molecular Docking ◽  
Dna Binding ◽  
Metal Complex ◽  
Schiff Base Ligand ◽  
Docking Study ◽  
Molecular Docking Study

DNA binding, molecular docking study and antitumor activity of [PdCl2(R2-(S,S)-eddtrp)] complexes

2021 ◽  
Author(s):  
Sandra S. Jovičić Milić ◽  
Verica V. Jevtić ◽  
Edina H. Avdović ◽  
Biljana Petrović ◽  
Milica Međedović ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Antitumor Activity ◽  
Docking Study ◽  
Molecular Docking Study

Synthesis, characterization, structure, DNA binding aspects and molecular docking study of a novel Schiff base ligand and its bis(μ-chloro) bridged Cu(II) dimer

Polyhedron ◽  
2017 ◽  
Vol 126 ◽  
pp. 195-204 ◽  
Author(s):  
Bhargab Guhathakurta ◽  
Pritha Basu ◽  
Chandra Shekhar Purohit ◽  
Nirmalya Bandyopadhyay ◽  
Gopinatha Suresh Kumar ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Dna Binding ◽  
Schiff Base Ligand ◽  
Docking Study ◽  
Molecular Docking Study

Mixed phenoxo and azido bridged dinuclear nickel(II) and copper(II) compounds with N,N,O-donor schiff bases: Synthesis, structure, DNA binding, DFT and molecular docking study

2019 ◽  
Vol 484 ◽  
pp. 197-205 ◽  
Author(s):  
Animesh Pradhan ◽  
Shobhraj Haldar ◽  
Krishnasis Basu Mallik ◽  
Mrinmoy Ghosh ◽  
Manindranath Bera ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Schiff Bases ◽  
Docking Study ◽  
Molecular Docking Study

Synthesis, DFT Calculations, DNA Binding and Molecular Docking Studies on Biologically Active N-((3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)naphthyl Derivatives

2021 ◽  
Vol 6 (4) ◽  
pp. 292-301
Author(s):  
P.V. Sandhya ◽  
K.S. Femina ◽  
A.V. Pradeep
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Biological Activities ◽  
Condensation Reaction ◽  
Geometry Optimization ◽  
Docking Study ◽  
Biologically Active ◽  
Molecular Docking Study ◽  
Binding Interaction

The biologically active pyrazole clubbed imino naphthyl derivatives have been designed and synthesized from 1-phenyl-3-methoxy phenyl-1H-pyrazol-4-carboxaldehyde and substituted naphthyl amines via acid catalyzed condensation reaction. All the synthesized compounds were well characterized by different spectroscopic and mass spectral techniques. The in vitro antibacterial, antifungal and antituberculosis studies were carried out. The molecular docking study was also done with the software Arguslab 4.0.1. The studied compounds showed moderate to good biological activities both experimentally and theoretically. Geometry optimization, DNA binding interaction and FMO analysis were also investigated with the help of Gaussian 16 package at B3LYP/6-31G(d,p) level.

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