RESEARCH: CANCER
FOLDING PROJECT #18103 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 work against KRas and develop new treatments. Public data and research findings will be shared.

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/.

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, causing various types of cancer.

GDP

Guanosine diphosphate

GDP is a molecule that binds to proteins like KRas, turning them off and inhibiting cell growth. It's involved in signaling pathways within cells.

GTP

Guanosine triphosphate

GTP is a molecule that activates proteins like KRas, promoting cell growth and division. It's involved in energy transfer within cells.

Protein

Large biomolecules composed of chains of amino acids.

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

Cancer

A group of diseases characterized by abnormal cell growth and spread.

Cancer is a complex disease caused by mutations in genes that control cell growth and division. These mutations can lead to uncontrolled cell proliferation, invasion into surrounding tissues, and metastasis (spread to other parts of the body).