| Index | Recent Threads | Unanswered Threads | Who's Active | Guidelines | Search |
 |
World Community Grid Forums
Category: Completed Research
Forum: Drug Search for Leishmaniasis Forum
Thread: DSFL update |
| No member browsing this thread |
|
Thread Status: Active Total posts in this thread: 15
|
|
| Author |
|
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Dear WCG members.
For us it is a pleasure to let you know that the computational process of the DSFL project has ended. We want to thanks all people for helping us to develop the project providing computational time and effort, and to the WCG team for the professional support to carry out this task. As I have mentioned before, without your help this project had been impossible to conduct in Colombia and probable in many countries all over the world. Beside the initial 53 Leishmania proteins, we added a few more proteins that will be analyzed along with the first batch. But I am sure one of your probable question is: and now what is next?: There are several steps we have to travel through, and these are: 1. To identify the best ranked compounds in term of the docking score. Autodock Vina rank protein-compound interaction based in the energy of interaction and assign a score. The results of the project were organized in a large database built in MySQL language by Rodrigo Ochoa, one of the PECET team. The amount of information we already have in our NAS is about 6 terabytes, so it is not an easy task to look into such amount of data, which are the best candidates. In order to identify the best candidates, a script was created and it is currently running. We hope at the end this year or before, to have the complete list of potential anti-leishmanial compounds or molecules. 2. Depending on the number of potential compounds predicted with promising score, we have probably to filter them based on several parameters, like costs, administration route (oral, injected, topic), toxicity, human use approval for other diseases, etc. 3. Those filtered compounds will be evaluated in in vitro assays and those passing the in vitro phase will be tested in vivo. 4. Finally those passing in vitro and in vivo tests, will be evaluated in human clinical trials. How long can it take??. Probably years, To get an effective and safe drug, is not an easy task, but we hope to get one among the 600.000 you tested in your computers. We will let you know if we get any. Best wishes and thanks again. |
|||
|
||||
|
Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3315 Status: Offline Project Badges: 
|
Thanks for the update.
----------------------------------------Best of luck and please, pretty please, keep us updated.  - AMD Ryzen 5 1600AF 6C/12T 3.2 GHz - 85W - AMD Ryzen 5 2500U 4C/8T 2.0 GHz - 28W - AMD Ryzen 7 7730U 8C/16T 3.0 GHz [Edit 1 times, last edit by Falconet at Aug 5, 2013 5:55:07 PM] |
||
|
|
branjo
Master Cruncher Slovakia Joined: Jun 29, 2012 Post Count: 1892 Status: Offline Project Badges: 
|
Fingers crossed carmusk. I wish your team all the best.
----------------------------------------Cheers and   Crunching@Home since January 13 2000. Shrubbing@Home since January 5 2006  |
||
|
|
Randzo
Senior Cruncher Slovakia Joined: Jan 10, 2008 Post Count: 339 Status: Offline Project Badges: 
|
Thank you for the informative update.
I keep fingers crossed for you as well hopefully you will be successful. Or maybe you will prepare next project proposal for WCG in the future. ;-) |
||
|
|
ThreadRipper
Veteran Cruncher Sweden Joined: Apr 26, 2007 Post Count: 1324 Status: Offline Project Badges:
|
Thanks for the update!
---------------------------------------- Join The International Team: https://www.worldcommunitygrid.org/team/viewTeamInfo.do?teamId=CK9RP1BKX1 AMD TR2990WX @ PBO, 64GB Quad 3200MHz 14-17-17-17-1T, RX6900XT @ Stock AMD 3800X @ PBO AMD 2700X @ 4GHz |
||
|
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
 Please accept my best wishes for the futue of your project!   Lawrence |
||
|
|
cjslman
Master Cruncher Mexico Joined: Nov 23, 2004 Post Count: 2082 Status: Offline Project Badges: 
|
carmusk.... thanks for the update and I wish you and your team the best of results.
----------------------------------------CJSL Crunching for better future... |
||
|
|
Mgruben
Advanced Cruncher Joined: May 26, 2013 Post Count: 94 Status: Offline Project Badges: 
|
How long can it take??. Probably years, To get an effective and safe drug, is not an easy task, but we hope to get one among the 600.000 you tested in your computers. We will let you know if we get any. I acknowledge that the drug search process takes years (decades sometimes), but a question of curiosity for me is how many of those "years" have WCG members contributed? After receiving our data, are the researchers still at year 0, or are they now closer to year 3, or does my question misunderstand the search process?  |
||
|
|
B2I
Senior Cruncher usa Joined: Jan 23, 2011 Post Count: 232 Status: Offline Project Badges: 
|
I acknowledge that the drug search process takes years (decades sometimes), but a question of curiosity for me is how many of those "years" have WCG members contributed? After receiving our data, are the researchers still at year 0, or are they now closer to year 3, or does my question misunderstand the search process? As an add on to Mgruben's question, why can't the power of WCG be harnessed in the post processing?  |
||
|
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Dear mgRuben.
Of course we are not at day 0. I would not say we have advanced 3,4 or 5. However, if we get an effective compounds that kill Leishmania and beside that it already has human approval for other disease, the path may be even shorter. |
||
|
|
|