RESEARCH: COVID-19
FOLDING PROJECT #14379 PROFILE

Folding@home is using your computer power to study proteins from the COVID-19 virus. This can help researchers develop new drugs to fight the disease. The project simulates how these proteins work and interact with potential medications.

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 virus that causes respiratory illness.

Coronaviruses are a large family of viruses that can cause illnesses ranging from the common cold to more severe diseases like SARS and MERS. COVID-19 is caused by a novel coronavirus called SARS-CoV-2. It spreads through respiratory droplets released when an infected person coughs, sneezes, or talks. Symptoms include fever, cough, shortness of breath, and fatigue.

SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2

SARS-CoV-2 is the virus responsible for the COVID-19 pandemic. It's a type of coronavirus that was first identified in Wuhan, China, in late 2019. The virus spreads easily from person to person through respiratory droplets. It can cause a range of symptoms, from mild cold-like symptoms to severe pneumonia and death.

Main protease

An enzyme essential for viral replication.

The main protease is a key protein found in coronaviruses, including SARS-CoV-2. It's responsible for cleaving viral proteins into smaller pieces that are needed to build new viruses. This process is crucial for the virus to replicate and spread. Scientists are developing drugs that target the main protease as a way to stop the virus from replicating.

Inhibitor

A molecule that blocks or reduces the activity of another molecule.

Inhibitors are used in drug development to block the action of specific molecules, such as enzymes. In the case of coronaviruses, inhibitors can be designed to target the main protease and prevent it from cleaving viral proteins, thus halting viral replication.

PDB

Protein Data Bank

The Protein Data Bank (PDB) is a global repository of 3D structural data for biological macromolecules, including proteins and nucleic acids. Researchers use PDB data to understand the structure and function of proteins, design drugs, and develop new technologies.

FEP

Free Energy Perturbation

Free energy perturbation (FEP) is a computational method used to estimate the binding affinity of drug molecules to target proteins. It's a powerful tool for virtual screening and lead optimization in drug discovery.

Clone

A genetically identical copy of a biological entity.

In the context of research, cloning refers to creating identical copies of DNA sequences or cells. It's a common technique used in molecular biology for various purposes, such as studying gene function and producing large quantities of proteins.