RESEARCH: CANCER
FOLDING PROJECT #16982 PROFILE

This project looks at how tiny protein structures fold and how changes to their design affect how they work. The goal is to learn how to build better proteins that can attach to cancer cells, potentially leading to new cancer treatments.

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

Refers to a type of protein secondary structure.

Alpha-helices are common structural elements in proteins. They are characterized by a right-handed coil shape formed by hydrogen bonds between amino acids.

hairpins

Small hairpin-shaped structures in proteins or nucleic acids.

Hairpins are folded structures in biomolecules. They have a characteristic stem-loop shape, where a double-stranded region is followed by a loop.

disulfide cross-linkers

Covalent bonds between cysteine amino acids in proteins.

Disulfide bonds are important for stabilizing protein structures. They form between two sulfur atoms from cysteine residues.

sequence variants

Alterations in the DNA sequence that code for proteins.

Sequence variants can lead to changes in protein structure and function. They are often studied to understand disease mechanisms or develop new therapies.

folding thermodynamics

The energy changes associated with protein folding.

Folding thermodynamics describes the stability and pathways of protein folding. It considers factors like enthalpy, entropy, and hydrogen bonding.

folding kinetics

The rates of protein folding and unfolding.

Folding kinetics studies the speed at which proteins fold into their correct shapes. It can be influenced by factors like temperature and chaperone proteins.

protein binder scaffolds

Structural frameworks designed to bind specific target proteins.

Protein binder scaffolds are used in drug development to create molecules that specifically target and interact with disease-related proteins.

affibody

A type of engineered protein scaffold that binds to target antigens.

Affibody molecules are small, stable proteins derived from staphylococcal protein A. They have high affinity and specificity for their targets.

cancer therapeutics

Medicines used to treat cancer.

Cancer therapeutics aim to kill or inhibit the growth of cancerous cells. They can include chemotherapy drugs, immunotherapy agents, and targeted therapies.