RESEARCH: COVID-19
FOLDING PROJECT #13461 PROFILE

Scientists are using computer simulations to find drugs that can block a key enzyme in the COVID-19 virus. The best candidates will be made and tested in labs. This project is called the COVID Moonshot and aims to develop an affordable, open-source treatment for COVID-19.

https://www.youtube.com/watch?v=VnyaAmM1nhE These 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

A substance that is chemically synthesized or extracted from a natural source.

In drug discovery, a compound refers to a specific molecule being tested for its potential medicinal properties. Chemists design and synthesize compounds with the aim of finding those that interact effectively with biological targets like proteins or enzymes to treat diseases.

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

SARS-CoV-2 is the virus responsible for causing COVID-19. It's a type of coronavirus that primarily affects the respiratory system, leading to symptoms like fever, cough, and shortness of breath. Scientists are constantly researching SARS-CoV-2 to understand its mechanisms and develop effective treatments and vaccines.

Viral Protease

An enzyme produced by viruses that is essential for their replication.

Viral proteases are crucial proteins made by viruses to replicate and spread. They act like molecular scissors, cutting apart larger viral proteins into smaller functional units necessary for assembling new virus particles. Scientists often target viral proteases with drugs to inhibit their activity and stop the virus from replicating.

COVID Moonshot

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

The COVID Moonshot is a collaborative effort involving researchers, scientists, and pharmaceutical companies worldwide to accelerate the development of new drugs and therapies for COVID-19. The goal is to find safe and effective treatments as quickly as possible to combat the pandemic.

Enamine

A company that provides a vast library of chemical compounds for research and development.

Enamine is a leading supplier of chemical building blocks used in pharmaceutical research. They offer a massive catalog of compounds that researchers can purchase to test for potential drug candidates. Their services are essential for accelerating the drug discovery process.