Drug Design (6270/7270)

Welcome to Dr. Fehl’s Drug Design Course Resources Page

Official canvas site (lectures, quizzes, in-class activities, test prep)

https://canvas.wayne.edu/courses/108959 and https://canvas.wayne.edu/courses/109854

 

Drug Design Challenge:

Analog Submission template (.xls file)

 

Pymol (free viewer for protein and nucleic acid structures)

A. software (requires free academic registration) https://pymol.org/edu/?q=educational

B. tutorial https://www.youtube.com/watch?v=UR6Vl5fB9xc (finish the Lys 265 visualization by selecting ‘sele’, Actions-> Rename, and call it Lys265. This creates it as a new distinct object. With Lys265 selected, Show->Sticks or Lines to reveal the sidechain!)

 

Protein DataBank (PDB, collection of solved biological structures)

https://www.rcsb.org/

 

ChemDraw (chemical illustrator and molecular properties calculator)

https://www.perkinelmer.com/category/chemdraw

-> Chem3D molecular modeling included on Windows distribution only