Synthesis, characterization, DFT calculation, Antifungal, Antioxidant, CT-DNA/pBR322 DNA interaction and molecular docking studies of heterocyclic analogs

2021 ◽  
pp. 131248
Author(s):  
Rabiya Mehandi ◽  
Rizwan Arif ◽  
Manish Rana ◽  
Saiema Ahmedi ◽  
Razia Sultana ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dft Calculation ◽  
Dna Interaction ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Pbr322 Dna ◽  
Ct Dna

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.

Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes

RSC Advances ◽  
2015 ◽  
Vol 5 (57) ◽  
pp. 46031-46049 ◽  
Author(s):  
Jebiti Haribabu ◽  
Kumaramangalam Jeyalakshmi ◽  
Yuvaraj Arun ◽  
Nattamai S. P. Bhuvanesh ◽  
Paramasivan Thirumalai Perumal ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Protein Binding ◽  
Anticancer Activity ◽  
Dna Cleavage ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Thiosemicarbazone Complexes ◽  
Ct Dna

Cytotoxic nickel(ii) complexes with an N-substituted isatin thiosemicarbazone were synthesized and their interaction with CT DNA and BSA protein was investigated, which was supported by molecular docking studies.

New DNA-Interactive Manganese(II) Complex of Amidooxime: Crystal Structure, DFT Calculation, Biophysical and Molecular Docking Studies

2020 ◽  
Vol 65 (11) ◽  
pp. 5393-5404
Author(s):  
Urmila Saha ◽  
Malay Dolai ◽  
Gopinatha Suresh Kumar ◽  
Ray J. Butcher ◽  
Saugata Konar
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Dft Calculation ◽  
Docking Studies ◽  
Molecular Docking Studies
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