Summary
Summary Receptor based drug design and computational models
- Course
- Institution
Drug design and mechanisms of drug action - 1st semester Includes bullet points, key diagrams and images
[Show more]
Seller
Follow
alexd1
Content preview
Receptor Based Drug Design and Computational ModelsX-Ray Crystallography
Enzymes easier to work with than receptors
Solid state technique
Highly purified macromolecules are dehydrated to form crystals 0.05-0.5 mm
long
X-rays diffract and are detected
Position and intensity of diffraction allows the 3D structure of the protein to be
compared to the data base (PDB)
Biological NMR
Using N 15 and C 13
2D technique
Shifts show binding interactions
Solution state technique
Docking
Predicts the preferred orientation of a ligand when bound to a protein
Crystal structure taken from database and potential ligands added
Protein structure ideally comes from XRC than NMR
Rapid screening
De-Novo Design
Series of linked moieties (molecules divided up in sections)
Each moiety interacts at a given site
Take crystal structure with ligand bound
Identify main binding interactions and shape of binding site
Then remove the ligand from crystal structure
Identify structural motifs that could bind
Calculate distance between these and add core molecule
Fragment Based Ligand Design
Weak molecules with many minor interactions
Don’t fit in the receptor well
Use NMR and XRC
Optimise initial fragment to bind to adjacent regions of receptor
Fragment Linking
Take many different fragments
Assess efficacy at high concentrations to receptor
Identify 2 compounds that bind at different sites but close enough to bridge
Produce large high affinity compounds
Fragment Self Assembly
The benefits of buying summaries with Stuvia:
Guaranteed quality through customer reviews
Stuvia customers have reviewed more than 700,000 summaries. This how you know that you are buying the best documents.
Quick and easy check-out
You can quickly pay through credit card or Stuvia-credit for the summaries. There is no membership needed.
Focus on what matters
Your fellow students write the study notes themselves, which is why the documents are always reliable and up-to-date. This ensures you quickly get to the core!
Frequently asked questions
What do I get when I buy this document?
You get a PDF, available immediately after your purchase. The purchased document is accessible anytime, anywhere and indefinitely through your profile.
Satisfaction guarantee: how does it work?
Our satisfaction guarantee ensures that you always find a study document that suits you well. You fill out a form, and our customer service team takes care of the rest.
Who am I buying these notes from?
Stuvia is a marketplace, so you are not buying this document from us, but from seller alexd1. Stuvia facilitates payment to the seller.
Will I be stuck with a subscription?
No, you only buy these notes for $4.12. You're not tied to anything after your purchase.
Can Stuvia be trusted?
4.6 stars on Google & Trustpilot (+1000 reviews)
76669 documents were sold in the last 30 days
Founded in 2010, the go-to place to buy study notes for 14 years now
Recently viewed by you
