RESEARCH: COVID-19
FOLDING PROJECT #14631 PROFILE

Folding@home is using computer power to study proteins from the coronavirus (COVID-19). These projects can help researchers find new drugs to fight the virus. The project relates to simulating how these proteins work and interact with potential drug targets.

CORONAVIRUS PROJECT These projects are part of Folding@home’s efforts to assist researchers around the world taking up the global fight against COVID-19.

At the time of release, this is the latest news update: https://foldingathome.org/2020/03/10/covid19-update/ These projects are CPU projects to simulate COVID-19 proteins to learn about their dynamics and function.

These supplement high-priority GPU projects of the main protease as well as the COVID-19 receptor binding domains.

All can be considered potential drug targets. Please stay tuned to https://foldingathome.org/news/ for more current updates. 14300 series

• 14328 - Coronavirus SARS-CoV-2 main protease in complex with an inhibitor N3 (PDBID: 6lu7)
• 14329 - Coronavirus SARS-CoV-2 main protease in complex with an inhibitor N3 (PDBID: 6lu7)
• 14332 - SARS coronavirus spike receptor-binding domain complexed with its receptor ACE2 (PDB: 2ajf)
• 14333 - SARS-CoV-2 RBD domain in complex with human neutralizing S230 antibody Fab fragment (PDBs: 6nb8, 2ghv) [http://dx.doi.org/10.1016/j.cell.2018.12.028]
• 14334 - SARS-CoV-2 RBD domain in complex with human neutralizing S230 antibody Fab fragment (PDBs: 6nb8, 2ghv) [http://dx.doi.org/10.1016/j.cell.2018.12.028]
• 14335 - SARS-CoV-2 RBD domain in complex with human neutralizing S230 antibody Fab fragment (PDBs: 6nb8, 2ghv) [http://dx.doi.org/10.1016/j.cell.2018.12.028]
• 14336 -SARS-CoV-2 RBD domain in complex with human ACE2 receptor (PDB: 6vsb, 6acg)
• 14337 - FEP screening of Coronavirus SARS-CoV-2 main protease in complex with potential inhibitors (100_Ligands)
• 14338 - FEP screening of Coronavirus SARS-CoV-2 main protease in complex with potential inhibitors (100_Ligands)
• 14339 - FEP screening of potential protease inhibitors in solution (100_Ligands)
• 14340 - clone of 14332
• 14341 - clone of 14333
• 14342 - clone of 14334
• 14343 - clone of 14335
• 14344 - clone of 14336
• 14345 - clone of 14338
• 14346 - FEP screening of Coronavirus SARS-CoV-2 main protease in complex with potential inhibitors (7 fragment hits)
• 14347 - FEP screening of protease inhibitors in solution (7 fragment hits)
• 14348 - FEP screening of protease inhibitors in solution (7 fragment hits)
• 14349 - FEP screening of protease inhibitors in solution (72_L 1-100)
• 14350 - FEP screening of protease inhibitors in solution (72_L 101-200)
• 14351 - FEP screening of protease inhibitors in solution (72_L 201-300)
• 14352 - FEP screening of protease inhibitors in solution (72_L 301-400)
• 14353 - FEP screening of protease inhibitors in solution (72_L 401-500)
• 14354 - FEP screening of protease inhibitors in solution (72_L 501-600)
• 14355 - FEP screening of protease inhibitors in solution (72_L 601-700)
• 14356 - FEP screening of protease inhibitors in solution (72_L 701-800)
• 14357 - FEP screening of protease inhibitors in solution (72_L 801-900)
• 14358 - FEP screening of protease inhibitors in solution (72_L 901-1000)
• 14359 - FEP screening of protease inhibitors in solution (72_L 1001-1100)
• 14360 - FEP screening of protease inhibitors in solution (72_L 1101-1200)
• 14361 - FEP screening of protease inhibitors in solution (72_L 1201-1300)

• 14363 - FEP screening of protease inhibitors in complex (MOONSHOT 03-23 1-500 LR)
• 14364 - FEP screening of protease inhibitors in solution (MOONSHOT 03-23 1-500 L)
• 14365 - FEP screening of protease inhibitors in complex (MOONSHOT 03-26 1-1500 RL)
• 14366 - FEP screening of protease inhibitors in complex (MOONSHOT 03-26 1501-3000 RL)
• 14367 - FEP screening of protease inhibitors in complex (MOONSHOT 03-26 3001-4500 RL)
• 14368 - FEP screening of protease inhibitors in complex (MOONSHOT 03-26 4501-5660 RL)
• 14369 - FEP screening of protease inhibitors in solution (MOONSHOT 03-26 1-1500 L)
• 14370 - FEP screening of protease inhibitors in solution (MOONSHOT 03-26 1501-3000 L)
• 14371 - FEP screening of protease inhibitors in solution (MOONSHOT 03-26 3001-4500 L)
• 14372 - FEP screening of protease inhibitors in solution (MOONSHOT 03-26 4501-5660 L)

• 14373 - FEP screening of protease inhibitors in complex (MLTN 1-100 RL)
• 14374 - FEP screening of protease inhibitors in solution (MLTN 1-100 L)

• 14375 - FEP screening of protease inhibitors in complex (MS0331 1-2264 RL)
• 14376 - FEP screening of protease inhibitors in solution (MS0331 1-2264

• 14377 - FEP screening of protease inhibitors in complex (MS0406 1-428 RL)
• 14378 - FEP screening of protease inhibitors in solution (MS0406 1-428 L)

• 14379 - FEP screening of protease inhibitors in complex (MS0406-2 RL)
• 14380 - FEP screening of protease inhibitors in solution (MS0406-2 L)

• 14381-83 - FEP screening of protease inhibitors in complex (MSBR RL)
• 14384-86 - FEP screening of protease inhibitors in solution (MSBR L)

• 14399 - FEP screening of protease inhibitors in complex (MSBR RL)

• 14600 - FEP screening of protease inhibitors in complex (72_RL 1-100)
• 14601 - FEP screening of protease inhibitors in complex (72_RL 101-200)
• 14602 - FEP screening of protease inhibitors in complex (72_RL 201-300)
• 14603 - FEP screening of protease inhibitors in complex (72_RL 301-400)
• 14604 - FEP screening of protease inhibitors in complex (72_RL 401-500)
• 14605 - FEP screening of protease inhibitors in complex (72_RL 501-600)
• 14606 - FEP screening of protease inhibitors in complex (72_RL 601-700)
• 14607 - FEP screening of protease inhibitors in complex (72_RL 701-800)
• 14608 - FEP screening of protease inhibitors in complex (72_RL 801-900)
• 14609 - FEP screening of protease inhibitors in complex (72_RL 901-1000)
• 14610 - FEP screening of protease inhibitors in complex (72_RL 1001-1100)
• 14611 - FEP screening of protease inhibitors in complex (72_RL 1101-1200)
• 14612 - FEP screening of protease inhibitors in complex (72_RL 1201-1300)

• 14613 through 14628 - FEP screening of protease inhibitors in complex (AGG_RL)
• 14630 through 14643 - FEP screening of protease inhibitors in complex (AGG_RL)

• 14645 through 14656 - FEP screening of protease inhibitors in complex (387_RL)
• 14660 through 14671 - FEP screening of protease inhibitors in solution (387_L)

• 14676 - FEP screening of 20 fragment hits from DIAMOND UK in solution

Coronavirus

A type of RNA virus that causes respiratory illnesses.

Coronaviruses are a large family of viruses that can cause diseases ranging from the common cold to more severe illnesses like Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS). The most recent coronavirus outbreak, caused by SARS-CoV-2, has resulted in a global pandemic known as COVID-19.

COVID-19

Coronavirus disease 2019

COVID-19 is the infectious disease caused by the SARS-CoV-2 virus. Symptoms can range from mild (fever, cough, fatigue) to severe (pneumonia, respiratory failure). It spreads primarily through respiratory droplets released when an infected person coughs or sneezes.

SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2

SARS-CoV-2 is the virus responsible for causing COVID-19. It is a type of coronavirus that primarily affects the respiratory system.

Main protease

An enzyme crucial for viral replication.

The main protease is a key enzyme produced by SARS-CoV-2 that plays a vital role in replicating the virus. It cuts up larger proteins into smaller functional pieces, enabling the virus to assemble new particles and spread.

Protein

Large biomolecules essential for all life processes.

Proteins are complex molecules made up of amino acids. They perform a wide range of functions in living organisms, including catalyzing reactions, transporting molecules, providing structural support, and regulating cellular processes.

Inhibitor

A substance that blocks or slows down the activity of another molecule.

Inhibitors are used in drug development to target specific enzymes or proteins involved in disease pathways. By blocking their activity, inhibitors can help treat various conditions.

PDB

Protein Data Bank

The Protein Data Bank (PDB) is a global repository of 3D structural data for proteins and other biomolecules. It provides a valuable resource for researchers studying protein function, drug design, and other areas.