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World Community Grid Forums
Category: Completed Research
Forum: FightAIDS@Home
Thread: FA@H Project Status Update |
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Thread Status: Active Total posts in this thread: 14
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Sekerob
Ace Cruncher Joined: Jul 24, 2005 Post Count: 20043 Status: Offline |
Drewer, can you plz edit your post and remove the ending L in the link. The publisher changed it to just htm . Interesting this tetherin.
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rilian
Veteran Cruncher Ukraine - we rule! Joined: Jun 17, 2007 Post Count: 1460 Status: Offline Project Badges: 
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Sekerob, thanks for your comment. The link is amended.
It is interesting only because the logic behind seems to be extremely straightforward: 1. If colleagues from Canada are right with the fact that tetherin is an essential defense blocked by Vpu (F@H to crunch for energy approximation of Vpu-tetherin link to check) 2. If Vpu actively interacts with tetherin then it is in "valent state", meaning that something can be easily attached to it (F@H is the best way to know that since non-computational tests will take much more time and budget. If we can achieve better energy than Vpu-tetherin link, then there is a high possibility that the new component will disable Vpu). 3. If Vpu "valent state" is disabled (by attaching this "something"), tetherin will not be blocked (F@H to crunch for the "non-valent Vpu"-tetherin link energy to confirm that the mechanism works). |
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mgl_ALPerryman
FightAIDS@Home, GO Fight Against Malaria and OpenZika Scientist USA Joined: Aug 25, 2007 Post Count: 283 Status: Offline Project Badges: 
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Hi Drewer,
You are right--HIV Vpu is a very interesting target. If Vpu can be inhibited strongly enough by a small molecule, it should help prevent the spread of the infection to other cells within that patient. We cannot accurately characterize the tetherin:Vpu interaction with AutoDock on FightAIDS@Home. AutoDock was designed and optimized for docking small molecules to a protein--not for docking two proteins against each other. Proteins are much, much larger and much more complex. Protein-protein docking is a much more difficult computational task and is not yet as accurate as docking small molecules. But that could eventually change. One postdoctoral fellow in Prof. Art Olson's lab at TSRI is devoting all of his research to advancing a protein:protein docking program, and he's been making some progress. Vpu is not currently being targeted by FightAIDS@Home calculations, but we should definitely think about pursuing it as a target, after we make more progress against HIV protease and HIV integrase. Thank you for your interest and your support, Alex L. Perryman, Ph.D. |
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