RESEARCH: COVID-19
FOLDING PROJECT #13432 PROFILE

The project simulates the main virus protein from COVID-19 to help researchers quickly find promising drug candidates. This speeds up the process of developing new treatments by prioritizing which compounds are most likely to be effective against the virus.

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

https://www.youtube.com/watch?v=VnyaAmM1nhE These projects are to assist rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis. This series of projects simulates the SARS-CoV-2 main viral protease. These projects collectively cover the entire set of X-ray structures collected by the COVID Moonshot, and more RUNs will be added as new structures are collected. 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.

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COVID Moonshot

A global initiative for rapid development of COVID-19 treatments.

The COVID Moonshot is a collaborative effort to accelerate the discovery and development of new therapies for COVID-19. It involves researchers, scientists, and organizations from around the world working together to identify promising drug candidates and bring them to market quickly.

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SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2, the virus that causes COVID-19.

SARS-CoV-2 is a highly contagious virus responsible for causing the disease known as COVID-19. It primarily affects the respiratory system and can lead to severe illness, particularly in vulnerable populations.

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Viral Protease

An enzyme produced by viruses that plays a crucial role in their replication.

Viral proteases are enzymes essential for the life cycle of viruses. They cleave viral proteins, allowing the virus to assemble new particles and spread infection. Inhibiting these enzymes is a common strategy for antiviral drug development.

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X-ray Structures

Three-dimensional representations of molecules determined using X-ray crystallography.

X-ray structures are detailed visualizations of the arrangement of atoms within molecules. They provide crucial insights into protein function, drug binding, and disease mechanisms. These structures are often obtained through X-ray crystallography, a technique that uses X-rays to diffract off crystallized molecules.

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RCSB

Research Collaboratory for Structural Bioinformatics

The RCSB (Research Collaboratory for Structural Bioinformatics) is a global resource that provides access to a vast collection of 3D protein structures and related information. It plays a vital role in advancing scientific research and drug discovery.

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Enamine

A company that provides a wide range of chemicals and building blocks for pharmaceutical research.

Enamine is a leading supplier of chemical compounds used in drug discovery and development. They offer a vast library of diverse molecules, along with custom synthesis services, to support researchers in their efforts to find new treatments.

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GoFundMe

A website that allows individuals to raise funds for various causes.

GoFundMe is a popular platform for crowdfunding, enabling people to solicit donations for personal projects, charitable initiatives, or emergencies. It has become a widely used tool for raising money online.