RESEARCH: CANCER
FOLDING PROJECT #17739 PROFILE

The project relates to how proteins use ions to move molecules across cell membranes. These proteins are found everywhere and help treat diseases like cancer and diabetes. Simulations will show how these proteins work, no matter their shape.

Projects 17711-17724 Molecular basis of secondary active transporters. Secondary active membrane transporters are proteins that utilize ions to transport an assortment of molecules across cell membranes.

These proteins are found in all domains in life and surprisingly, despite vastly different structures, operate under the same mechanism by using an ion gradient to assist in small molecule transport.

Furthermore, many of these secondary active transporters are drug targets to treat disease like cancer, diabetes, and neurological disorders.

These simulations will allow us to understand a universal role of ion-coupling across different families of proteins.

Secondary active transporters

Proteins that use ion gradients to transport molecules across cell membranes.

Secondary active transporters are essential proteins found in all living organisms. They utilize the energy stored in an ion gradient to move various molecules across cell membranes. This process is vital for numerous cellular functions, including nutrient uptake, waste removal, and signal transduction. Many secondary active transporters are targets for drugs used to treat diseases like cancer, diabetes, and neurological disorders.

Ion gradient

A difference in concentration of ions across a cell membrane.

An ion gradient is an uneven distribution of electrically charged atoms (ions) across a cell membrane. This difference in concentration creates a potential energy that can be used to drive various cellular processes, such as the transport of molecules across membranes. Ion gradients are essential for maintaining cellular homeostasis and enabling vital functions.

Cell membranes

The outer boundary of a cell that regulates the passage of substances in and out.

Cell membranes are thin, flexible barriers that surround all cells. They are composed primarily of lipids and proteins and serve as selective barriers, controlling the movement of substances into and out of the cell. This regulation is essential for maintaining cellular homeostasis and enabling various functions.

Proteins

Large, complex molecules essential for virtually all cellular functions.

Proteins are the workhorses of cells, carrying out a vast array of functions. They are involved in structural support, catalysis (speeding up chemical reactions), transport, signaling, and many other processes. Proteins are made up of chains of amino acids, folded into complex three-dimensional structures that determine their specific function.

Simulations

Computer models used to study and predict biological systems.

Simulations are powerful tools used in computational biology to model complex biological systems. By simulating the behavior of molecules or cells, researchers can gain insights into biological processes, test hypotheses, and develop new drugs.

Drug targets

Molecules or cellular pathways that are targeted by drugs.

Drug targets are specific molecules or pathways within the body that are involved in disease processes. Drugs are designed to interact with these targets and modulate their activity, leading to therapeutic effects.