RESEARCH: CANCER
FOLDING PROJECT #18105 PROFILE

This project studies KRas, a protein that controls cell growth and is often mutated in cancer. Researchers are using computer simulations to understand how drugs work against mutant KRas, aiming to develop better cancer treatments. They're also testing new simulation methods and sharing all data publicly.

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

Kirsten rat sarcoma viral oncogene homolog

KRas is a protein that plays a crucial role in cell growth and division. Mutations in the KRAS gene can lead to uncontrolled cell growth, contributing to the development of various cancers.

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GDP

Guanosine diphosphate

GDP is a molecule that binds to proteins like KRas, switching them off and inhibiting cell growth. It plays a vital role in cellular signaling.

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GTP

Guanosine triphosphate

GTP is a molecule that binds to proteins like KRas, switching them on and promoting cell growth. It plays a crucial role in cellular signaling.

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Inhibitor

A substance that reduces the activity of a specific molecule or enzyme.

An inhibitor is a drug or compound that blocks the action of another molecule. In cancer treatment, inhibitors are often used to target proteins involved in tumor growth.

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Prognosis

The likely course or outcome of a disease.

Prognosis refers to the predicted outcome of a disease. In cancer, prognosis is often influenced by factors like tumor stage and patient health.

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Drug Design

The process of creating new medications.

Drug design is a complex scientific process that involves identifying potential drug targets, designing molecules that interact with those targets, and testing their effectiveness and safety.

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Adaptive Sampling

A method for improving the efficiency of computer simulations by dynamically adjusting the sampling strategy.

Adaptive sampling is a technique used in computational modeling to optimize the simulation process. It involves adjusting how frequently data points are collected based on the current state of the simulation.