RESEARCH: CANNABINOID
FOLDING PROJECT #19001 PROFILE

The body uses special chemicals called endocannabinoids to help with things like pain and mood. These chemicals work by binding to receptors (CB1 and CB2). This project is simulating how a specific endocannabinoid, anandamide, interacts with these receptors to understand how it prefers one type of receptor over the other. This knowledge could help create better medications for conditions like pain or obesity.

Cannabinoid Receptors The endocannabinoid signaling system consists of receptors (Cannabinoid Receptors; CB1 and CB2), endogeneous molecules (Endocannabinoids; 2-AG, Anandamide), and enzymes.

Endocannabinoids are produced in postsynaptic neurons and bind to Cannabinoid Receptors to maintain homeostasis in neuron signaling and a plethora of physiological processes.

These receptors are targeted for pain, obesity, and other central nervous system disorders.

Endocannabinoids show more than 10-fold selectivity towards CB1 compared to CB2.

Therefore, a mechanistic understanding of endocannabinoid selectivity will help us design selective therapeutics.

In this project, we are running binding simulation of anandmide to CB1 and CB2 to decipher ligand selectivity.

Cannabinoid Receptors

Receptors that bind to cannabinoids.

Cannabinoid receptors are proteins found on cells in the body that bind to cannabinoids. There are two main types of cannabinoid receptors: CB1 and CB2. CB1 receptors are primarily found in the brain and central nervous system, while CB2 receptors are found throughout the body, including the immune system. Cannabinoids can activate or inhibit these receptors, leading to a variety of effects.

CB1

Cannabinoid receptor 1

CB1 receptors are found primarily in the brain and central nervous system. They are responsible for many of the psychoactive effects of cannabinoids.

CB2

Cannabinoid receptor 2

CB2 receptors are found throughout the body, including the immune system. They play a role in inflammation and pain.

Endocannabinoids

Naturally occurring molecules that bind to cannabinoid receptors.

Endocannabinoids are signaling molecules produced by the body. They act on cannabinoid receptors, which are involved in a variety of functions, including pain sensation, mood regulation, and appetite.

Anandamide

A type of endocannabinoid.

Anandamide is a fatty acid molecule that acts as an endocannabinoid. It binds to CB1 receptors in the brain and produces a variety of effects, including pain relief, relaxation, and euphoria.

2-AG

2-Arachidonoylglycerol

2-AG is a type of endocannabinoid that binds to CB1 and CB2 receptors.