User:Catherine Koenigsknecht/Notebook/Experimental Biological Chemistry/2013/02/05: Difference between revisions

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|style="background-color: #EEE"|[[Image:BDLlogo_notext_lr.png|128px]]<span style="font-size:22px;"> Biomaterials Design Lab</span>
|style="background-color: #EEE"|[[Image:BDLlogo_notext_lr.png|128px]]<span style="font-size:22px;"> Biomaterials Design Lab</span>
|style="background-color: #F2F2F2" align="center"|<html><img src="/images/9/94/Report.png" border="0" /></html> [[{{#sub:{{FULLPAGENAME}}|0|-11}}|Main project page]]<br />{{#if:{{#lnpreventry:{{FULLPAGENAME}}}}|<html><img src="/images/c/c3/Resultset_previous.png" border="0" /></html>[[{{#lnpreventry:{{FULLPAGENAME}}}}{{!}}Previous entry]]<html>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</html>}}{{#if:{{#lnnextentry:{{FULLPAGENAME}}}}|[[{{#lnnextentry:{{FULLPAGENAME}}}}{{!}}Next entry]]<html><img src="/images/5/5c/Resultset_next.png" border="0" /></html>}}
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==Entry title==
Analysis of Docking Screen for ADA


==Objective==
#View docking score results
#Compare docking scores to known flavonoids
#Identify possible alternatives to known flavonoids using docking scores
#Locate chosen alternative compounds and purchase for additional testing


==Description==
*View docking scores of screened compounds:
#Open Maestro
#Project->import structures: open grid_grid_SP_1500Flavanoids.pv
#Project Table: View docking scores (more negative docking score = better docking




*Identify top score compound structures: (using project table)
**Look at H bonds and fit of structure
**Look at compounds with flavonoid similarity
***sort by fpscreen_1 on table (larger the score the closer to flavanoid)
****identify flavonoid structures by viewing compounds
*Input ID numbers into Zinc database:
#View Vendors and avaliability
*Choose COmpounds to Order and test:
==Notes==
Docking Scores for the flavanoids:
Myricetin: -6.237
Kaempferol: -6.067
Quercetin: -5.905
*All chosen compounds are filed in Dropbox folder




Latest revision as of 22:24, 26 September 2017

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