RESEARCH: CANCER
FOLDING PROJECT #18106 PROFILE

Scientists are studying KRas, a protein that controls cell growth. When mutated, KRas causes cancer by making cells grow uncontrollably. The project uses computer simulations to understand how drugs can block KRas. This research helps develop new cancer treatments and make them more effective.

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, 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/.

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KRas

A protein that plays a role in cell growth and is often mutated in cancer.

KRas is a crucial protein involved in cell growth signaling. When functioning correctly, it acts as a molecular switch, turning on and off to regulate cell division. However, mutations in the KRas gene can cause it to stay constantly active, leading to uncontrolled cell growth and cancer development.

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GDP

Guanosine diphosphate

GDP is a molecule that binds to KRas, switching it off and preventing cell growth. When GDP is bound to KRas, the protein is inactive.

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GTP

Guanosine triphosphate

GTP is a molecule that binds to KRas, switching it on and promoting cell growth. When GTP binds to KRas, the protein becomes active and signals for cell division.

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Inhibitor

A substance that blocks or reduces the activity of a specific target.

An inhibitor is a molecule designed to prevent a particular process from occurring. In cancer treatment, inhibitors are often used to block the action of proteins involved in tumor growth.

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Protein

A large biomolecule composed of amino acids.

Proteins are essential building blocks of life. They perform a wide variety of functions in cells, including catalyzing biochemical reactions, transporting molecules, and providing structural support.

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Mutation

A permanent change in the DNA sequence.

Mutations are alterations in the genetic code. They can occur spontaneously or be induced by environmental factors. Some mutations are harmless, while others can lead to disease, such as cancer.

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Cancer

A group of diseases characterized by uncontrolled cell growth.

Cancer is a complex group of diseases where abnormal cells grow and divide uncontrollably. This can lead to the formation of tumors and the spread of cancer to other parts of the body.