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World Community Grid Forums
Category: Completed Research
Forum: FightAIDS@Home
Thread: lower docking energy for phase 1b? |
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Thread Status: Active Total posts in this thread: 4
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we45dfa35gh3476
Advanced Cruncher Joined: Apr 19, 2006 Post Count: 57 Status: Offline |
The newsletter said we were finished with phase 1a and we were moving into phase 1b. From what I gathered from the newsletter, the 1900 compounds in 1a should've had good docking energies. The ones in phase 1b are looking for any that they may have missed.
Has anyone else noticed that the docking energies on the recent work units have generally had lots of poor docking energy. I'm seeing tons of yellow/red. I don't remember there being this much yellow before. Anyone else notice anything similar? |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hello we45dfa35gh3476,
I have not been keeping track of docking energies. However, Phase 1A ran compounds of known structure that in many cases had undergone some trials against HIV. So we could compare our results against lab trial data (verifying our program) while also characterizing their effectiveness against many mutant varieties of HIV. Phase 1B is running many additional compounds of known structure against 1 'wild' variety of HIV. So this is an attempt to find new drugs. I would expect most compounds would be very ineffective compared to those we ran in Phase 1A. Therefore, I believe your observation is correct. Lawrence |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
lawrencehardin, I think that's misleading. Phase 1a involved the NCI Diversity Set, which is supposed to be representative of the entire library, which we are quickly running through in Phase 1b. I don't know what evidence you have for previous clinical trials - but Phase 1a did include some known, approved drugs.
If Phase 1b is successful, it should identify exactly the same groups of drugs that were selected in Phase 1a. This is all in the newsletter, so let's not confuse things ;-) |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks, Didactylos.
I think that I was getting confused by an earlier statement that Phase 1A included many compounds that had been through at least some clinical trials. But you are right, that should not be overstated. The really interesting point will come when we move from Phase 1B to Phase II.  Lawrence |
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