RESEARCH: CANCER
FOLDING PROJECT #16985 PROFILE

This project relates to understanding how small proteins fold. By changing their structure and connections, we can study how these changes affect their ability to bind to other molecules. The goal is to learn how to design better protein-based drugs, like those that 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 hairpins

Local structural motif in proteins

Alpha-helical hairpins are short, curved sections of protein structure formed by alpha-helices. They play a role in protein folding and function. Understanding their formation can help design new proteins with specific properties.

disulfide cross-linkers

Covalent bonds between cysteine residues in proteins

Disulfide cross-linkers are strong bonds that form between two sulfur atoms in cysteine amino acids within a protein. They stabilize protein structure and can be used to engineer specific properties.

sequence variants

Variations in DNA sequence

Sequence variants are changes in the order of DNA building blocks (nucleotides). These variations can lead to differences in protein structure and function. Studying them helps understand disease mechanisms and develop new therapies.

protein binder scaffolds

Framework for binding proteins

Protein binder scaffolds are structural elements designed to bind specifically to target proteins. They serve as platforms for developing therapeutic antibodies and other biopharmaceuticals.

affibody

Affibody

An affibody is a small protein derived from a bacterial protein domain that binds specifically to target molecules. They are used in diagnostics and therapeutics, including cancer treatment.

cancer therapeutics

Treatment for cancer

Cancer therapeutics are medications or therapies designed to treat and manage cancer. They work by targeting specific cancer cells or pathways to inhibit growth and spread.