RESEARCH: CANCER
FOLDING PROJECT #17506 PROFILE

Five projects use computer simulations to study how the proteins AURKA and N-MYC interact. Some simulations include special molecules (ligands) to see their effect on protein binding. Projects 17505, 17506, 17507 simulate at room temperature, while project 17508 uses a higher temperature simulation.

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

Project 17505 is room-temperature vanilla simulation of an apo kinase AURKA : N-MYC complex to explore protein-protein interactions.
Project 17506 is room-temperature vanilla simulation of the kinase AURKA : N-MYC complex with ligand 1 bound to explore protein-protein interactions.
Project 17507 is room-temperature vanilla simulation of the kinase AURKA : N-MYC complex with ligand 2 bound to explore protein-protein interactions.
Project 17508 is high-temperature vanilla simulation of an apo kinase AURKA : N-MYC complex to explore protein-protein interactions.

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AURKA

A serine/threonine-specific protein kinase involved in cell cycle progression.

AURKA is a crucial enzyme that controls how cells divide. It's like a switch that tells the cell when to start and finish copying its DNA before splitting into two new cells. Problems with AURKA can lead to uncontrolled cell growth, which is a hallmark of cancer.

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N-MYC

A proto-oncogene that encodes a transcription factor involved in cell growth and proliferation.

N-MYC is a gene that helps control how cells grow and divide. When it's overactive, it can cause cells to multiply too quickly, leading to cancer. This type of cancer is often found in the nervous system and is called neuroblastoma.

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Protein-protein interactions

The physical interactions between proteins that are essential for many cellular processes.

Proteins often work together to carry out important tasks in our bodies. Protein-protein interactions describe how these proteins connect and cooperate with each other. Understanding these interactions is crucial for developing new drugs and therapies.

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Kinase

An enzyme that catalyzes the transfer of a phosphate group from a high-energy molecule to a protein or other molecule.

Kinases are like tiny molecular switches that can turn proteins on or off by adding a phosphate group. This process is essential for many cellular processes, including cell growth, division, and signaling.

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Ligand

A molecule that binds to a receptor or other target protein.

Ligands are like keys that fit into specific locks on proteins. When a ligand binds to its target protein, it can trigger a specific response in the cell.

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Apo kinase

A kinase that does not have a bound ligand.

Think of apo kinases as proteins without their key. They are inactive until they bind to a ligand, which is like inserting the key into the lock.