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A virtual screening pipeline for RNA World


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Message boards : News : A virtual screening pipeline for RNA World

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Profile Michael H.W. Weber
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Message 359 - Posted: 7 May 2015, 11:52:42 UTC

After quite some work, only a few day ago, I successfully finished the local experiments and the compilation of a proper process / protocol documentation aiming at setting up a virtual screening pipeline within the RNA World framework.
One of the next steps will be the incorporation of the required new applications into our BOINC server infrastructure.
Of course, besides aiming at examining RNA-binding proteins, I am also (and in fact primarily) interested in using RNAs as target structures to find molecular binders that enhance/interfere with RNA functions.

Nach einigen Vorarbeiten konnte ich vor ein paar Tagen die lokalen Experimente und die zugehörige Prozessdokumentation für das Aufsetzen einer "virtual screening"-Pipeline im Rahmen von RNA World abschliessen.
Als nächstes steht nun u.a. die Einbindung der erforderlichen neuen Applikationen in unsere BOINC-Serverinfrastruktur an.
Selbstverständlich interessiere ich mich neben der Untersuchung RNA-bindender Proteine auch (und eigentlich in erster Linie) dafür, RNAs als Zielstrukturen einzusetzen, um daran bindende Moleküle zu identifizieren, welche die jeweilige RNA in ihrer Funktion beeinträchtigen.

Michael.
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Brian Joseph Johns
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Message 360 - Posted: 8 May 2015, 11:17:18 UTC - in response to Message 359.
Last modified: 8 May 2015, 11:31:47 UTC

Does this mean that the search for such molecular binders to affect Ribonucleic Acids and their functioning as messengers for the building of protein strands in DNA and the regular functioning of cells are going to run inside of a distributed client as part of the job process, and that such a search is actually going to take place inside of running distributed clients? If so that is most incredible and certainly awe inspiring. Can't wait to see it!

Brian Joseph Johns
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Profile Michael H.W. Weber
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Message 361 - Posted: 9 May 2015, 17:29:53 UTC - in response to Message 360.

Does this mean that the search for such molecular binders to affect Ribonucleic Acids and their functioning as messengers for the building of protein strands in DNA and the regular functioning of cells are going to run inside of a distributed client as part of the job process, and that such a search is actually going to take place inside of running distributed clients? If so that is most incredible and certainly awe inspiring. Can't wait to see it!

Brian Joseph Johns

Yes, that is what we aim at.

Today, major efforts are undertaken to find drugs acting on proteins. What we are interested in - besides this established and useful approach - is finding drugs that act at the level of RNA. Here, again we are mainly interested in non-coding RNAs but targets could of course also represent mRNAs that serve as templates to make proteins.
In fact, the whole cellular mechanism of RNA interference is based on modulating / abolishing synthesis of key player proteins by interfering with their synthesis at the mRNA level.
So, if the inactivation of a protein by means of a drug results in alleviating a disease process, the same result could be oberserved upon inactivating its mRNA (i.e. acting at an even earlier level).

Michael.
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Message boards : News : A virtual screening pipeline for RNA World