RESEARCH: CANCER
FOLDING PROJECT #16922 PROFILE

This project relates to understanding how proteins fold into specific shapes. By studying how things like chemical bonds and slight changes in protein code affect folding, scientists hope to design better 'affibody' drugs that can target cancer cells.

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

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.

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alpha-helical hairpins

Stable secondary structure motif in proteins.

Alpha-helical hairpins are a common structural element found in proteins. They consist of two alpha helices connected by a short loop. This hairpin structure is stabilized by hydrogen bonds between the backbone atoms of the amino acids.

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disulfide cross-linkers

Covalent bonds between cysteine residues in proteins.

Disulfide cross-linkers are covalent bonds formed between two cysteine amino acids within a protein. These bonds contribute to the stability and three-dimensional structure of proteins.

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sequence variants

Alterations in the amino acid sequence of a protein.

Sequence variants are changes in the order of amino acids within a protein. These variations can arise from mutations or genetic modifications and can affect the protein's function, structure, and stability.

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molecular simulation methods

Computer-based techniques to model molecular interactions.

Molecular simulation methods use computer algorithms to simulate the behavior of molecules and their interactions. These simulations can be used to study protein folding, drug design, and other biological processes.

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affibody

Small protein-binding molecules.

Affibody is a type of engineered protein with high affinity for specific target molecules. These small proteins are used in various applications, including cancer diagnostics and therapeutics.

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cancer therapeutics

Drugs used to treat cancer.

Cancer therapeutics are medications designed to kill or inhibit the growth of cancer cells. These treatments can include chemotherapy, targeted therapy, immunotherapy, and radiation.