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

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

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.

scholarly journals Synthesis, anticancer activity and molecular docking study of Schiff base complexes containing thiazole moiety

2016 ◽  
Vol 5 (1) ◽  
pp. 85-96 ◽  
Author(s):  
Mokhles M. Abd-Elzaher ◽  
Ammar A. Labib ◽  
Hanan A. Mousa ◽  
Samia A. Moustafa ◽  
Mamdouh M. Ali ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Anticancer Activity ◽  
Docking Study ◽  
Schiff Base Complexes ◽  
Molecular Docking Study

Synthesis, in vitro alpha glucosidase, urease activities and molecular docking study of bis-indole bearing Schiff base analogs

2020 ◽  
Vol 28 ◽  
pp. 100396 ◽  
Author(s):  
Imad Uddin ◽  
Hayat Ullah ◽  
Attiya Bibi ◽  
Muhammad Taha ◽  
Fahad Khan ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Alpha Glucosidase

scholarly journals Evaluation of α-Amylase Inhibitory Activity, Molecular Modeling, Total Antioxidant and Theoretical Studies of Novel Schiff Base Transition Metal Complexes

2020 ◽  
Vol 32 (9) ◽  
pp. 2187-2194
Author(s):  
A. SUDHA ◽  
S. ARULMOZHI ◽  
S.J. ASKAR ALI
Keyword(s):  
Schiff Base ◽  
Metal Complexes ◽  
Schiff Base Ligand ◽  
Density Functional ◽  
Antioxidant Activities ◽  
Geometry Optimization ◽  
Docking Study ◽  
Basis Sets ◽  
Frontier Molecular Orbital ◽  
Molecular Docking Study

By condensing pyrene-1-carbaldehyde and 4-aminoantipyrine, a Schiff base ligand, (Z)-1,5-dimethyl-2-phenyl-4-((pyren-1-ylmethylene)- amino)-1H-pyrazol-3(2H)-one and its Cu(II), Ni(II), Co(II) and Zn(II) complexes have been synthesized. The ligand and its metal complexes were characterized by FT-IR, UV-visible, 1H & 13C NMR, ESI-mass spectra and elemental analysis. The antidiabetic and antioxidant activities of the synthesized Schiff base ligand and its metal complexes were studied. The molecular docking study of human pancreatic α-amylase (PDB: 1HNY). Furthermore, Theoretical analysis of geometry optimization and frontier molecular orbital analysis (HOMOLUMO) was accomplished by density functional theory using B3LYP/3-21G*++ basis sets to understand the chemical stability of the synthesized ligand and their metal(II) complexes.

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