Synthesis and characterization of Co(ii) and Fe(ii) peptide conjugates as hydrolytic cleaving agents and their preferential enantiomeric disposition for CT-DNA: structural investigation of l-enantiomers by DFT and molecular docking studies

RSC Advances ◽  
2015 ◽  
Vol 5 (88) ◽  
pp. 72121-72131 ◽  
Author(s):  
Sabiha Parveen ◽  
Mohammad Usman ◽  
Sartaj Tabassum ◽  
Farukh Arjmand
Keyword(s):  
Molecular Docking ◽  
Structural Investigation ◽  
Docking Studies ◽  
Synthesis And Characterization ◽  
Hydrolytic Cleavage ◽  
Peptide Conjugates ◽  
Molecular Docking Studies ◽  
Pbr322 Dna ◽  
Ct Dna

Molecular docked model of Co(ii) peptide conjugate with DNA and the mechanism of hydrolytic cleavage of pBR322 DNA.

scholarly journals Synthesis and Characterization of Novel Schiff base Cu(II) Complexes: Antimicrobial and Molecular docking Studies

2017 ◽  
Vol 3 (2) ◽  
pp. 75-90
Author(s):  
AP Arumugam ◽  
G Elango ◽  
S Guhanathan
Keyword(s):  
Molecular Docking ◽  
Metal Complexes ◽  
Spectroscopic Data ◽  
Docking Studies ◽  
Octahedral Geometry ◽  
Synthesis And Characterization ◽  
Glutaric Anhydride ◽  
Molecular Docking Studies ◽  
Ft Ir

N2O2 type complexes of C+2uion have been synthesized by the reaction of Salicylaldehyde/ 3,4-diaminobenzophenone/ acetyl acetoneand glutaric anhydride. The ligands and respective metal complexes was established through spectroscopic data (FT-IR, UV-Vis,1H NMR and 13C NMR). They are non-electrolytic in nature as their molar conductivities (ΛM) in DMSO of 10-3 M solution from the EPR study the complexes proposed to be octahedral geometry. All the metal complexes have been screened for their antibacterial activity andthe predicted binding affinity using molecular docking studies.

Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone

2015 ◽  
Vol 15 (17) ◽  
pp. 1743-1749 ◽  
Author(s):  
Aurelio San-Martin ◽  
Viviana Donoso ◽  
Sergio Leiva ◽  
Mitchell Bacho ◽  
Solange Nunez ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Antitumoral Activity ◽  
Molecular Docking Studies
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