RESEARCH: COVID-19
FOLDING PROJECT #13439 PROFILE

The project relates to using computer simulations to find new drugs that can stop the COVID-19 virus from replicating. The top-scoring drugs will be made and tested in a lab. You can help fund this open science effort by donating.

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

A substance that is created or used in a chemical reaction.

In drug discovery, a compound refers to a molecule being investigated for its potential medicinal properties. Chemists synthesize compounds and test them to see if they interact with specific biological targets, like proteins or enzymes, to produce a desired therapeutic effect.

synthesis

The process of creating a chemical compound from simpler substances.

Synthesis is the process used to create complex molecules in the lab. Chemists combine different starting materials through a series of carefully controlled reactions to build up desired structures.

protease

An enzyme that breaks down proteins.

Proteases are enzymes that play a crucial role in breaking down proteins. They are involved in many biological processes, including digestion, cell signaling, and immune response.

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 emerged in late 2019 and spread globally, leading to a pandemic.

Mpro

Main protease

Mpro is the main protease enzyme of SARS-CoV-2. It's essential for viral replication and a key target for antiviral drugs.