Copper(II)-Binding Ability of Stereoisomeric cis- and trans-2-Aminocyclohexanecarboxylic Acid–l-Phenylalanine Dipeptides. A Combined CW/Pulsed EPR and DFT Study

2012 ◽  
Vol 51 (3) ◽  
pp. 1386-1399 ◽  
Author(s):  
Nóra V. Nagy ◽  
Sabine Van Doorslaer ◽  
Terézia Szabó-Plánka ◽  
Senne Van Rompaey ◽  
Andrea Hamza ◽  
...  
Keyword(s):  
Dft Study ◽  
Binding Ability ◽  
Pulsed Epr ◽  
Aminocyclohexanecarboxylic Acid ◽  
Cis And Trans

Synthesis, biological evaluation, substitution behaviour and DFT study of Pd(ii) complexes incorporating benzimidazole derivative

2018 ◽  
Vol 42 (4) ◽  
pp. 2574-2589 ◽  
Author(s):  
Ishani Mitra ◽  
Subhajit Mukherjee ◽  
Venkata P. Reddy B. ◽  
Bashkim Misini ◽  
Payel Das ◽  
...  
Keyword(s):  
Cancer Cells ◽  
Benzimidazole Derivative ◽  
Biological Evaluation ◽  
Dft Study ◽  
Binding Ability ◽  
Normal Cells ◽  
Bsa Binding ◽  
Reduced Toxicity

Pd(ii) complexes with good DNA/BSA binding ability exhibit cytotoxicity comparable to cisplatin on different cancer cells along with reduced toxicity towards normal cells.

The Mechanism of Selective Binding Ability between Opiate Metabolites and Acyclic Cucurbit[4]uril: an MD/DFT Study

2020 ◽  
Author(s):  
Guang-Yan Sun ◽  
Song Xiao ◽  
Long Yi Jin ◽  
Jianping Wang
Keyword(s):  
Molecular Structure ◽  
Complex Formation ◽  
Dft Study ◽  
Binding Ability ◽  
Selective Binding

Subtle changes in molecular structure often lead to significant differences in the host-guest interactions, which result in different host-guest recognition capabilities and dynamics behaviors in complex formation. Herein, we reveal...

scholarly journals Some DADNE Originated Cyclic Isomers - A DFT Study

2020 ◽  
pp. 137-153
Author(s):  
Lemi Türker
Keyword(s):  
Density Functional Theory ◽  
Spectral Data ◽  
Quantum Chemical ◽  
Density Functional ◽  
Dft Study ◽  
Functional Theory ◽  
Type Molecule ◽  
Cis And Trans ◽  
Ionic Forms

Diaminodinitroethylene (DADNE) has three constitutional isomers, geminal, cis and trans. The geminal one is the well known FOX-7 explosive. It is a push-pull type molecule. In the present study, within the restrictions of density functional theory at the level of B3LYP/6-311++G(d,p), two cyclic dimeric structures of DADNE are investigated quantum chemically. Also their mono ionic forms have been investigated (unrestricted treatment). All the structures are found to be stable. Various quantum chemical and spectral data are collected computationally and discussed.

Synthesis and opioid activity of dynorphin A-(1-13)NH2 analogs containing cis- and trans-4-aminocyclohexanecarboxylic acid

1993 ◽  
Vol 36 (8) ◽  
pp. 1100-1103 ◽  
Author(s):  
Kristin R. Snyder ◽  
Thomas F. Murray ◽  
Gary E. DeLander ◽  
Jane V. Aldrich
Keyword(s):  
Dynorphin A ◽  
Opioid Activity ◽  
Aminocyclohexanecarboxylic Acid ◽  
Cis And Trans

scholarly journals DFT study of reductive functionalization in cis and trans cobalt–methyl–bipyridine complexes

2015 ◽  
Vol 1073 ◽  
pp. 102-105 ◽  
Author(s):  
Shannon L. Teaw ◽  
Brittney W. Thornton ◽  
Justin Qian ◽  
Franklin Jia ◽  
Dale R. Pahls ◽  
...  
Keyword(s):  
Dft Study ◽  
Cis And Trans ◽  
In Cis

The cytotoxic effect of spiroflavanone derivatives, their binding ability to human serum albumin (HSA) and a DFT study on the mechanism of their synthesis

2017 ◽  
Vol 1137 ◽  
pp. 267-276 ◽  
Author(s):  
Elzbieta Budzisz ◽  
Piotr Paneth ◽  
Inacrist Geromino ◽  
Tadeusz Muzioł ◽  
Marek Rozalski ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Cytotoxic Effect ◽  
Dft Study ◽  
Binding Ability
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