RESEARCH: CANCER
FOLDING PROJECT #16966 PROFILE

This project relates to studying how tiny protein building blocks fold into specific shapes. We want to see how changes in the proteins' makeup affect their folding, hoping to learn how to design better 'affibody' drugs that can target cancer cells.

These simulations are designed to test our understanding the folding mechanism of alpha-helical hairpins.

We are trying to study how disulfide cross-linkers and sequence variants affect the folding thermodynamics and kinetics of these proteins, to learn how we might better use molecular simulation methods to design effective protein binder scaffolds, for use as "affibody" cancer therapeutics, for example.

alpha-helical

A type of secondary protein structure characterized by a helix formed by hydrogen bonding between amino acids.

Alpha-helices are common structural motifs in proteins. They form a spiral shape due to hydrogen bonds between the backbone atoms of amino acids. This shape is important for protein stability and function.

disulfide cross-linkers

Covalent bonds between sulfur atoms in cysteine amino acids, contributing to protein stability and folding.

Disulfide cross-linkers are strong covalent bonds that can form between two cysteine amino acids in a protein. These bonds help stabilize the protein's three-dimensional structure and can influence its function.

sequence variants

Alterations in the DNA sequence of a gene that can result in changes to protein structure and function.

Sequence variants are variations in the order of nucleotides within a gene. These changes can lead to altered amino acid sequences in the resulting protein, potentially affecting its properties and function.

molecular simulation

Computer-based models that mimic the behavior of molecules and biological systems.

Molecular simulations use computer algorithms to simulate the movement and interactions of atoms and molecules. This allows researchers to study complex biological processes and design new drugs or materials.

affibody

Affibody- Engineered protein binding domain derived from bacterial cell surface proteins.

Affibodys are small engineered proteins with high affinity for specific targets. They have potential applications in diagnostics and therapeutics, such as delivering drugs to cancer cells.

cancer therapeutics

Medications or treatments designed to prevent, control, or cure cancer.

Cancer therapeutics aim to eliminate or inhibit the growth of cancerous cells. This can involve various approaches, such as chemotherapy, radiation therapy, and targeted therapies.