RESEARCH: COVID-19
FOLDING PROJECT #13443 PROFILE

The project relates to using computer simulations to find new drugs that fight COVID-19. Chemists are making the top-scoring molecules and testing them in a lab. You can track their progress online and even help fund the research!

Note: This TLDR is a simplication and may not be 100% accurate.

https://www.youtube.com/watch?v=VnyaAmM1nhEThese projects are rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis.

Top-scoring molecules will be made and tested in a laboratory by the COVID Moonshot as it works to develop an open science patent-free inexpensive therapy for COVID-19 that shuts down the essential SARS-CoV-2 main viral protease.

The COVID Moonshot has already made and tested hundreds of compounds, and is pursuing several good lead series.

You can see their progress in real time here:
https://covid.postera.ai/covid/submissions/compounds To learn more about what the Moonshot is and how it came about, you can read our blog post or watch this video. In addition to helping us prioritize compounds, you can help us purchase more compounds for synthesis at cost from Enamine by sponsoring our GoFundMe page for patent-free open science COVID-19 drug discovery! This is a radical new approach to drug discovery that aims to rapidly produce inexpensive new therapies. SARS-CoV-2 main viral potease (Mpro) with ligand bound, from the RCSB.

---

compound designs

The process of creating and testing new chemical compounds for potential use as drugs.

Creating new chemical combinations is key to finding effective medicines. Chemists design and test these compounds to see if they have the desired effects against diseases.

---

COVID Moonshot

A global initiative to rapidly develop and deploy effective treatments for COVID-19.

The COVID Moonshot is a worldwide effort to quickly create affordable medications and therapies for the COVID-19 virus. Scientists and researchers from many countries are working together to find solutions.

---

synthesis

The process of creating a chemical compound from simpler starting materials.

Synthesis is the making of complex molecules from basic ingredients. Chemists use this process to build new drugs and other useful substances.

---

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

SARS-CoV-2 is the virus that causes COVID-19. It's a type of coronavirus that spreads through tiny droplets in the air.

---

main viral protease (Mpro)

A key enzyme that the SARS-CoV-2 virus needs to replicate.

Mpro is a vital tool for the COVID-19 virus to make copies of itself. Scientists are trying to find ways to block this enzyme so the virus can't spread.

---

ligand

A molecule that binds to a specific target, such as an enzyme or receptor.

Ligands are molecules that attach to other molecules in the body. They can be used to turn processes on or off, which is how drugs work.

---

RCSB

The Research Collaboratory for Structural Bioinformatics

RCSB is a database of 3D structures of molecules. Scientists use this information to understand how proteins and other molecules work.