FightAIDS@Home

Olson's target is HIV protease, a key molecular machine of the virus that when blocked stops it from maturing. These blockers, known as "protease inhibitors", are thus a way of avoiding the onset of AIDS and prolonging life. The Olson Laboratory is using computational methods to identify new candidate drugs that have the right shape and chemical characteristics to block HIV protease. This general approach is called structure-based drug design, and according to the National Institutes of Health's National Institute of General Medical Sciences, it has already had a dramatic effect on the lives of people living with AIDS.

FightAIDS@Home makes use of the AutoDock VINA software, which tests how well a particular molecule binds to the HIV-1 protease.

In October 2015 FightAIDS@Home Phase 2 was launched, using the computationally intensive Binding Energy Distribution Analysis Method (BEDAM) to "more thoroughly evaluate the top candidates from the vast number of results generated in Phase 1".{{citation |url=https://secure.worldcommunitygrid.org/research/fahb/overview.do |title=FightAIDS@Home - Phase 2 |accessdate=4 October 2015}}

It was originally implemented using a distributed computing software infrastructure provided by Entropia. However, since May 2003 FightAIDS@Home has not been associated with Entropia,{{cite web

|url=http://www.futurepundit.com/archives/001822.html

|title=Worthy Cause: Fight AIDS At Home Computer Project

|publisher=FuturePundit

|date=2003-12-01

|accessdate=2007-08-08

|archive-date=2021-05-07

|archive-url=https://web.archive.org/web/20210507135951/http://www.futurepundit.com/archives/001822.html

|url-status=dead

}} and on November 21, 2005, the project moved to World Community Grid and the Entropia software was abandoned.{{cite web

|url=http://fightaidsathome.scripps.edu/

|title=FightAIDS@Home

|publisher=The Scripps Research Institute

|accessdate=2007-08-08

|archive-date=2019-10-08

|archive-url=https://web.archive.org/web/20191008123857/http://fightaidsathome.scripps.edu/

|url-status=dead

}}

Scripps Research Institute published its first peer-reviewed scientific paper about the results of FightAIDS@Home on April 21, 2007.{{cite journal

|url=http://pubs.acs.org/cgi-bin/sample.cgi/jcisd8/2007/47/i03/html/ci700044s.html

|title=Analysis of HIV Wild-Type and Mutant Structures via in Silico Docking against Diverse Ligand Libraries

|volume=47

|issue=3

|pages=1258–1262

|journal=J. Chem. Inf. Model.

|author=Chang, Max W.

|author2=William Lindstrom |author3=Arthur J. Olson |author4=Richard K. Belew

|date=2007-04-21

|accessdate=2007-07-30

|doi=10.1021/ci700044s

|pmid=17447753

|doi-access=free

}} This paper explains that the results up to that point will primarily be used to improve the efficiency of future FightAIDS@Home calculations.{{cite web

|url=http://fightaidsathome.scripps.edu/news/vol3.pdf

|title=FightAIDS@Home News Volume 3

|publisher=The Scripps Research Institute

|date=2007-05-10

|accessdate=2007-07-30

|archive-date=2007-08-08

|archive-url=https://web.archive.org/web/20070808120748/http://fightaidsathome.scripps.edu/news/vol3.pdf

|url-status=dead

}}

On February 3, 2010, the project announced it found two compounds that make a completely new class of AIDS-fighting drugs possible: "two compounds that act on novel binding sites for an enzyme used by the human immunodeficiency virus (HIV), the virus that causes AIDS. The discovery lays the foundation for the development of a new class of anti-HIV drugs to enhance existing therapies, treat drug-resistant strains of the disease, and slow the evolution of drug resistance in the virus."

A March 2022 research paper details the results of the screening of over 1.6 million ZINC compounds at World Community Grid. First screened using AutoDock Vina, the top-scoring 500 were then analysed using BEDAM. After further screening, 24 of these were selected to perform thermal shift assays. 2 compounds appear to bind at the HIV-1 Capsid dimmer interface, possibly by occupying a new sub-pocket that has not been exploited by any existing HIV-1 capsid inhibitors.{{Cite journal |last=Sun |first=Qinfang |last2=Biswas |first2=Avik |last3=Vijayan |first3=R. S. K. |last4=Craveur |first4=Pierrick |last5=Forli |first5=Stefano |last6=Olson |first6=Arthur J. |last7=Castaner |first7=Andres Emanuelli |last8=Kirby |first8=Karen A. |last9=Sarafianos |first9=Stefan G. |last10=Deng |first10=Nanjie |last11=Levy |first11=Ronald |date=2022-03-01 |title=Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsid |url=https://doi.org/10.1007/s10822-022-00446-5 |journal=Journal of Computer-Aided Molecular Design |language=en |volume=36 |issue=3 |pages=193–203 |doi=10.1007/s10822-022-00446-5 |issn=1573-4951 |pmc=8904208 |pmid=35262811}}

The minimum system requirements to run FightAIDS@home are:{{cite web

|url=http://www.worldcommunitygrid.org/help/viewTopic.do?shortName=minimumreq

|title=System Requirements

|publisher=World Community Grid

|work=Help

|accessdate=2015-10-04

}}

With distributed computing every computer added accelerates the project, while the program has little impact on the performance of the machine where it is installed, as the calculation process can be set to run at minimum priority in the background.

• {{Cite journal

| last1 = Chang

| first1 = Max W.

| author-link =

| last2 = Lindstrom

| first2 = William

| author2-link =

| last3 = Olson

| first3 = Arthur J.

| author3-link =

| last4 = Belew

| first4 = Richard K.

| author4-link =

| title = Analysis of HIV Wild-Type and Mutant Structures via in Silico Docking against Diverse Ligand Libraries

| journal = J. Chem. Inf. Model.

| volume = 47

| issue = 3

| pages = 1258–1262

| year = 2007

| url = http://pubs.acs.org/cgi-bin/sample.cgi/jcisd8/2007/47/i03/pdf/ci700044s.pdf

| doi = 10.1021/ci700044s

| id =

| pmid = 17447753

| doi-access = free

}}

• {{citation |author1=Perryman, A. |author2=Santiago, D. |author3=Forli, S. |author4=Santos-Martins, D. |author5=Olson, A. |year=2014 |title=Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein–ligand binding challenge |journal=Journal of Computer-Aided Molecular Design |volume=28 |issue=4 |pages=429–441 |doi=10.1007/s10822-014-9709-3|pmid=24493410 |pmc=4053500 |bibcode=2014JCAMD..28..429P }}

• List of volunteer computing projects

{{reflist}}

{{Commons category|FightAIDS@Home}}

• [http://www.worldcommunitygrid.org/projects_showcase/viewFaahResearch.do World Community Grid - Research - FightAIDS@Home]
• [https://fightaidsathome2.cst.temple.edu/ FightAIDS@Home] {{Webarchive|url=https://web.archive.org/web/20191008123857/http://fightaidsathome.scripps.edu/ |date=2019-10-08 }}
• [http://www.scripps.edu/news/press/112105.html World Community Grid Targets AIDS in Giant Research Effort]
• [http://fightaidsathome.scripps.edu/Capsid/index.html HIV-1 Capsid Project] {{Webarchive|url=https://web.archive.org/web/20170511185529/http://fightaidsathome.scripps.edu/Capsid/index.html |date=2017-05-11 }}

{{BOINC topics}}

{{DEFAULTSORT:Fightaids at Home}}

Category:Berkeley Open Infrastructure for Network Computing projects

Volunteer computing projects

Category:Scripps Research

Category:HIV/AIDS research

Category:Volunteer computing projects