Oxalato bridged coordination polymer of manganese(iii) involving unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts: antiproliferative evaluation and theoretical studies

2020 ◽  
Vol 44 (46) ◽  
pp. 20021-20038
Author(s):  
Debajit Dutta ◽  
Pranay Sharma ◽  
Antonio Frontera ◽  
Anshuman Gogoi ◽  
Akalesh K. Verma ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Coordination Polymer ◽  
Ros Generation ◽  
Theoretical Studies

Unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts have been theoretically investigated for a Mn(iii) coordination polymer considering cytotoxicity, apoptosis, ROS generation, molecular docking and pharmacophore features.

Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies

2020 ◽  
Vol 49 (28) ◽  
pp. 9863-9881 ◽  
Author(s):  
Hiren Nath ◽  
Debajit Dutta ◽  
Pranay Sharma ◽  
Antonio Frontera ◽  
Akalesh K. Verma ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Coordination Compounds ◽  
Water Clusters ◽  
Supramolecular Assemblies ◽  
Ros Generation ◽  
Theoretical Studies ◽  
Square Grid

Novel adipato bridged Cu(ii) and Co(ii) complexes synthesized by considering cytotoxicity, apoptosis, ROS generation, molecular docking and pharmacophore features.

scholarly journals Thiophene-containing thiolato dimers, oxygen inserted Cu(II) complex, crystal structures, molecular docking and theoretical studies

2016 ◽  
Vol 69 (11-13) ◽  
pp. 2015-2023 ◽  
Author(s):  
Shaikh M. Mobin ◽  
Mohd. Tauqeer ◽  
Akbar Mohammad ◽  
Veenu Mishra ◽  
Pratibha Kumari
Keyword(s):  
Molecular Docking ◽  
Crystal Structures ◽  
Theoretical Studies ◽  
Complex Crystal

Experimental and Theoretical Studies of a Pyridylvinyl(benzoate) Based Coordination Polymer Structure

CrystEngComm ◽  
2021 ◽  
Author(s):  
Yuri Dezotti ◽  
Manoel Victor Frutuoso Barrionuevo ◽  
Ingrid Fernandes Silva ◽  
Marcos A Ribeiro ◽  
Rafael Añez ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Structural Properties ◽  
Polymer Structure ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

The electronic, adsorption and structural properties of a layered coordination polymer (CP), the {[Cu(3,4-pvb)2]·x(dmf)·y(H2O)}n (x=4; y=0 or x=3.5; y=1), formed by the coordination of {3-[2-(4-pyridyl)vinyl]}benzoate (3,4-pvb-) to copper(II), was studied...

Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(ii), Cu(ii) and Zn(ii) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine

2017 ◽  
Vol 41 (16) ◽  
pp. 8092-8106 ◽  
Author(s):  
Veysel T. Yilmaz ◽  
Ceyda Icsel ◽  
Feruza Suyunova ◽  
Muhittin Aygun ◽  
Buse Cevatemre ◽  
...  
Keyword(s):  
Cell Death ◽  
Molecular Docking ◽  
Protein Binding ◽  
Cytotoxic Activity ◽  
Anticancer Activity ◽  
Binding Affinity ◽  
Ros Generation ◽  
Bsa Binding

Synthesis, structures, DNA/BSA binding affinity, antioxidant and cytotoxic activity, cell death and ROS generation of Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes were reported.

Ibuprofen causes photocleavage through ROS generation and intercalates with DNA: a combined biophysical and molecular docking approach

2015 ◽  
Vol 17 (21) ◽  
pp. 13837-13850 ◽  
Author(s):  
Mohammed Amir Husain ◽  
Tarique Sarwar ◽  
Sayeed Ur Rehman ◽  
Hassan Mubarak Ishqi ◽  
Mohammad Tabish
Keyword(s):  
Molecular Docking ◽  
Ros Generation ◽  
Inflammatory Drug ◽  
Docking Approach ◽  
Anti Inflammatory

Ibuprofen is an important nonsteroidal anti inflammatory drug which intercalates with DNA and causes phototoxicity through ROS generation.

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