RESEARCH: CANCER
FOLDING PROJECT #18041 PROFILE

Scientists are studying KRas, a protein that controls cell growth and is often mutated in cancer. The project uses computer simulations to understand how drugs interact with KRas, aiming to develop new cancer treatments. Public data and insights will be shared.

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

We are simulating publicly available protein and small molecule structures of the currently very hot cancer target KRas, see https://www.fiercepharma.com/pharma/amgen-s-lumakras-becomes-first-fda-approved-kras-inhibitor-for-lung-cancer-patients for recent developments.

Folding@home has previously looked at this protein (in project 10490), and the following part of the description is copied from there: This project is "studying a small protein called KRAS, which forms a key link in growth signaling and cancer.

This gene is something like a molecular switch with a timer.

When it is bound to a molecule called GDP, it is off, and does not signal that the cell should grow.

However, other proteins can cause it to swap its GDP for a GTP, turning KRAS on.

In the on state, it signals that the cell should grow and divide.

Normally, after some time, KRAS, with the aid of some partners, will chemically convert its GTP to GDP and return to its inactive state. In many cancers, this protein becomes mutated, and cannot return to its off state.

The result? The cells continue to divide without limit.

What’s worse, cancers with this protein mutated tend to have much poorer prognoses.

As a result, scientists have been trying to target this protein for decades." We are investigating the dynamic behavior of KRas with these publicly disclosed inhibitors so that we can apply this knowledge to our own drug design.

At the same time, we are further testing the adaptive sampling methodology.

All data is being made publicly available at https://console.cloud.google.com/storage/browser/stxfah-bucket, and insights from methodology developments will be shared.

This is a project run by Roivant Sciences (formerly Silicon Therapeutics) as was officially announced in this press release: https://foldingathome.org/2021/04/20/maximizing-the-impact-of-foldinghome-by-engaging-industry-collaborators/ All data is being made publicly available as soon as it is received at https://console.cloud.google.com/storage/browser/stxfah-bucket.

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KRas

A protein involved in cell growth and division, often mutated in cancers.

KRas is a protein that acts like a switch, controlling cell growth. When it's on, cells grow and divide. But when it's off, they don't. Mutations in the KRas gene can keep it stuck in the 'on' position, leading to uncontrolled cell growth and cancer.

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GDP

Guanosine Diphosphate

GDP is a molecule that binds to KRas and turns it 'off', preventing cell growth. Think of it like a brake pedal for cells.

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GTP

Guanosine Triphosphate

GTP is a molecule that binds to KRas and turns it 'on', allowing cell growth. Think of it like the gas pedal for cells.

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Inhibitors

Substances that block the activity of a protein or enzyme.

Inhibitors are drugs designed to stop KRas from working properly, thus slowing down cancer cell growth.

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Mutations

Permanent changes in the DNA sequence of a gene.

Mutations in KRas can cause it to become permanently 'on', leading to uncontrolled cell growth and cancer.

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Prognoses

The likely course or outcome of a disease.

Prognoses refer to the predicted chances of recovery or survival for a patient with a specific disease.

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Drug Design

The process of creating new drugs.

Drug design involves scientists using their knowledge of biology and chemistry to create molecules that can treat diseases.