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2024 Competition
BAID-China
Commits
d743f0f6
Unverified
Commit
d743f0f6
authored
6 months ago
by
Dreta
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modify results page
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#484519
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6 months ago
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src/routes/results/+layout.svelte
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id:
'
recommendations
',
subSections:
[]
},
{
name:
'
After
Modification
',
id:
'
redock
',
subSections:
[]
},
{
name:
'
Summary
',
id:
'
summary
',
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we developed, "ScanCer." We also hope that the drugs identified through this screening process may hold potential
for further development in the future, possibly providing new therapeutic targets for breast cancer treatment.
Additionally, we performed virtual screening to validate the results of the high-throughput screening to ensure the
accuracy of
the experiment.
</p>
accuracy of the experiment.
</p>
<p>
We used “ScanCer” to assess the cell viability of normal
cells and cells after drug stimulation. We added ATP detection reagent and measured luminescence using a
...
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@@ -140,25 +139,7 @@
<p
class=
"slight"
>
Figure 9. The cell growth curve of 12F4
</p>
<h2
class=
"heading-2"
id=
"in-silico"
>
Virtual Screening
</h2>
<p>
It is quite reasonable to assume that if the results of the virtual screening of the drug library match, or partially
overlap, the results of the experimental screening are accurate and reliable. In other words, through virtual
screening, we can further validate the results of the wet experiment. Similarly, if the results from the wet lab
experiments deviate significantly from the virtual screening results, it indicates that there may be issues with the
wet lab screening. The overlap between the virtual screening results and the experimental results is as
follows.
</p>
<ul
class=
"list-disc list-outside"
>
<li>
1,10-Phenanthroline monohydrochloride monohydrate
</li>
<li>
6,7-Dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
</li>
<li>
2,2,2-Trimethylacetophenone N-(2-Methyl-4-oxopentan-2-yl)acrylamide
</li>
<li>
7,8-Difluoroquinoline Propylbenzenesulfonate
</li>
<li>
3-Morpholin-4-yl-propionic acid hydrochloride
</li>
<li>
1-(4-Methylphenyl)piperazine 4-Methyl-1 H-indazole
</li>
</ul>
<p>
In the experimental screening, we screened 14 drugs. The following is the docking results of two screened drugs and
four target proteins. Most of the drugs that we screened through experiments obtained high scoring functions in the
molecular docking, confirming the scientific validity of our experimental screening results.
</p>
<p>
TODO
</p>
<Molstar
opened=
{
true
}
pdb=
"https://static.igem.wiki/teams/5045/1aue-docked-1-10.png"
/>
<p
class=
"slight"
>
Figure 10. mTOR as docked with 1,10-Phenanthroline monohydrochloride monohydrate
</p>
...
...
@@ -284,26 +265,20 @@
<p>
By exploring these aspects for drug structure improvement, researchers can enhance efficacy while reducing side
effects, thereby advancing new drug development.
</p>
<h2
class=
"heading-2"
id=
"redock"
>
Docking Results After Modification
</h2>
<p>
TODO
</p>
<h2
class=
"heading-2"
id=
"summary"
>
Summary
</h2>
<p>
ScanCer is an ATP-FRET sensor for high-throughput breast cancer medicine screening. Using the biosensor that we have
developed, we discovered the anti-cancer properties of two small molecule compounds.
</p>
<p>
W
e found no previous reports on the anti-cancer properties of these two compounds, suggesting
<p>
Through our research, w
e found no previous reports on the anti-cancer properties of these two compounds, suggesting
that they may hold potential for further development in the future and could offer new therapeutic targets for
breast cancer treatment.
</p>
<p>
Additionally, throughout the project, we utilized molecular docking technology to screen drugs from a drug library
and validated
breast cancer treatment. We utilized molecular docking technology to screen drugs from a drug library and validated
the scientific accuracy of the wet lab screening results. Both of the final compounds identified were included in
the molecular docking results, with high docking scores, confirming the effectiveness of our drug screening
experiment and the "ScanCer" tool.
</p>
<p>
Finally, we conducted fur
ther a
nalysis on th
e
top-performing drugs. We ultimately proposed structural modifications for these compounds, which resulted in higher
molecular docking scores
.
</p>
<p>
It is evident that as a high school student team,
ther
e
a
re still many areas that require improvement. However, w
e
put in great effort to turn our ideas into reality, implement them, and continuously enhance their overall
performance
.
</p>
<h2
class=
"heading-2"
id=
"references"
>
References
</h2>
<References>
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