In Silico Effects of Steviol on Depression, Inflammation and Cancer Biomarkers

Steviol (ST1), a known natural product, and methylated models (ST2-ST4) were investigated in this in silico work to see their effects were examined on each of depression, inflammation, and cancer biomarkers by participating in interactions with each of monoamine oxidase-A (MAO-A), cyclooxygenase-2 (COX-2), methyltransferase (MTN) enzymes, respectably. The stabilized structures of ST1-ST4 were achieved by performing optimization calculations. Subsequently, formations of interacting ligand-target complexes were examined by molecular docking (MD) simulations. The evaluated molecular orbital features showed a different tendency of ST1-ST4 models for contributing to electron transfer processes. Accordingly, the interacting ligand-target complexes showed differential interactions of each ligand towards each target, making ST1-ST4 as appropriate compounds for the detection of targets. The methylated ST2-ST4 models worked even better than the original ST1 model to affirm the benefit of steviol modification to achieve desired results. Meaningful interactions of ST1-ST4 with the targets also showed the possible application of steviol for the medication of each of depression, inflammation, and cancer cases.

Download Full-text

Dynamical Solvent Effects on Electron-Transfer Processes: Recent Progress and Perspectives

10.21236/ada222603 ◽

1990 ◽

Author(s):

M. J. Weaver ◽

III McManis ◽

G. E.

Keyword(s):

Electron Transfer ◽

Solvent Effects ◽

Recent Progress ◽

Transfer Processes ◽

Electron Transfer Processes

Download Full-text

Analysis of the diffusion layer thickness, equivalent circuit and conductance behaviour for reversible electron transfer processes in linear sweep voltammetry

Electrochimica Acta ◽

10.1016/j.electacta.2003.05.003 ◽

2004 ◽

Vol 49 (3) ◽

pp. 445-453 ◽

Cited By ~ 14

Author(s):

M. Arun Prasad ◽

M.V. Sangaranarayanan

Keyword(s):

Electron Transfer ◽

Equivalent Circuit ◽

Layer Thickness ◽

Diffusion Layer ◽

Linear Sweep Voltammetry ◽

Linear Sweep ◽

Diffusion Layer Thickness ◽

Transfer Processes ◽

Reversible Electron Transfer ◽

Electron Transfer Processes

Download Full-text

RuIII(edta) complexes as molecular redox catalysts in chemical and electrochemical reduction of dioxygen and hydrogen peroxide: inner-sphere versus outer-sphere mechanism

RSC Advances ◽

10.1039/d1ra03293c ◽

2021 ◽

Vol 11 (35) ◽

pp. 21359-21366

Author(s):

Debabrata Chatterjee ◽

Marta Chrzanowska ◽

Anna Katafias ◽

Maria Oszajca ◽

Rudi van Eldik

Keyword(s):

Hydrogen Peroxide ◽

Electron Transfer ◽

Electrochemical Reduction ◽

Molecular Oxygen ◽

Outer Sphere ◽

Transfer Processes ◽

Edta Complexes ◽

Inner Sphere ◽

Electron Transfer Processes ◽

Sphere Mechanism

[RuII(edta)(L)]2–, where edta4– =ethylenediaminetetraacetate; L = pyrazine (pz) and H2O, can reduce molecular oxygen sequentially to hydrogen peroxide and further to water by involving both outer-sphere and inner-sphere electron transfer processes.

Download Full-text

Photoinduced electron transfer in mechanically interlocked suit[3]ane systems

Journal of Materials Chemistry C ◽

10.1039/d1tc01673c ◽

2021 ◽

Author(s):

Anton J Stasyuk ◽

Olga A. Stasyuk ◽

Miquel Solà ◽

Alexander Voityuk

Keyword(s):

Electron Transfer ◽

Photoinduced Electron Transfer ◽

New Class ◽

Transfer Processes ◽

Two Component ◽

Electron Transfer Processes

Suitanes, a new class of two-component mechanically interlocked systems, have recently been developed. In this work, we report a detailed study of photoinduced electron transfer processes in the suit[3]anes consisting...

Download Full-text