MD - Medicines Flashcards
Define pharmocophore
The part of a molecular structure that is responsible for a particular biological or pharmacological interaction that it undergoes
What must a pharmocophore do to be able to bring about change?
Fit and bind to the receptor
State and explain the 3 factors that affect how well a pharmocophore fits a receptor site
1) Size and Shape - it has to have a particular structure that will fit into the receptor site
2) Bond formation - functional groups in the pharmacophore form temporary bonds with the functional groups in the receptor. These are mostly ionic interactions or intermolecular forces
3) Orientation - if the pharmacophore has optical or E/Z isomerism, then only one of the isomers will fit
What effects does an agonistic drug have on the body?
Agonistic drugs bind to the receptor and trigger a response
What effects does an antagonistic drug have on the body?
Antagonistic drugs bind to the receptor and block it, stopping other molecules from triggering a response
What 3 things do chemists do/look for when finding a starting point for a compound act in a certain way
- See if there is a natural compound already used to treat the disease
- See if there is a compound in the body that’s involved in the process
- Molecule screening
Define molecule screening
Many molecules are tested to see if any of them bind to a target receptor
Give 2 techniques in which computer modelling can be used to speed up the process of molecule screening and drug design
1) Computer 3D modeling
2) Rational drug design
Use a lock and key analogy to describe the difference between Computer 3D Modeling and Rational Drug Design
Computer 3D modeling is like virtually looking for a key to fit a lock
Rational drug design is like using the structure of the lock to make your own key
Describe computer 3D modeling
Databases of 3D models of compunds can be searched to find compounds that may fit the 3D model of the target receptor site, which cuts down the number needed to be tested in a lab
Describe Rational drug design
The building of a completely new compound from scratch using a 3D model of the receptor site
When a starting compound for a drug has been found, what 2 things do the chemists do to get the drug marketed?
- Modify the compound
- Test the modified compound
What does modification to the pharmacophore do?
It changes its pharmacological activity
What 3 things are tested for in the testing of new drugs?
1) If the drug is safe
2) If the drug actually works
3) If the drug is better than existing drugs - e.g. more effective or has less side effects
