RESEARCH: COVID-19
FOLDING PROJECT #13445 PROFILE

Scientists are using computer simulations to find potential drugs against COVID-19. They're testing these drugs in the lab and sharing their progress online. You can even help fund this research!

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.

alchemical

relating to or resembling alchemy

Alchemical refers to processes and calculations used in drug discovery that mimic the ancient art of alchemy. It involves using computational methods to simulate chemical reactions and predict the properties of new molecules.

compound designs

the process of creating new molecules with desired properties

Compound designs involve the creation of new chemical structures for potential drug candidates. Chemists use various techniques to design compounds that target specific biological pathways and exhibit desirable pharmacological effects.

COVID Moonshot

a global initiative to rapidly develop and deploy effective therapies for COVID-19

The COVID Moonshot is a collaborative effort between researchers, scientists, and healthcare professionals worldwide to accelerate the development of new treatments for COVID-19. The program focuses on open science, collaboration, and rapid prototyping to bring innovative therapies to patients quickly.

synthesis

the process of creating a chemical compound from simpler starting materials

Synthesis involves combining different chemical components to build more complex molecules. In drug discovery, synthesis is crucial for producing potential therapies in the laboratory.

SARS-CoV-2 main viral protease (Mpro)

Main Protease (Mpro) is a vital enzyme for the replication of SARS-CoV-2 virus

SARS-CoV-2 main viral protease (Mpro), also known as 3CLpro, is an essential enzyme that plays a crucial role in the replication cycle of the SARS-CoV-2 virus. This protease cleaves specific proteins within the virus, allowing it to assemble new viral particles and spread infection.

GoFundMe

a website that allows people to raise money for various causes

GoFundMe is an online platform where individuals and organizations can create fundraising campaigns to collect donations from the public. It is widely used for personal emergencies, charitable causes, and community projects.