Fall course: Medicinal Chemistry
Chapter 2a Drug Screening 2b Lead Optimization
Chapter 6 Cardiovascular Drugs K+ channel ACEI Atorvastatin
Problem Sets (please include your name and student ID in the file name and main text in a single WORD or PDF file;
email me with the subject of "problemset#" (#=1,2,3...) at kruan@ustc.edu.cn)
Further reading
"Prioritization of cancer therapeutic targets using CRISPR–Cas9 screens", Nature 2019
"Structural Mechanism for Statin Inhibition", Science 2001
"GLIVEC (STI571, IMATINIB),A RATIONALLY DEVELOPED,TARGETED ANTICANCER DRUG", Nat Rev Drug Disc 2002
"Epigenetic protein families: a new frontier for drug discovery", Nat Rev Drug Disc 2012
"Personalized medicine in oncology: the future is now", Nat Rev Drug Disc 2010
Name of common cyclic compounds
Links
Pallas: powerful software to predict RO5 & PKPD etc in drug discovery Pallas demo
Openbabel: Tanimoto Similarity and Structure converter Openbabel-python
ACD: powerful software for chemical structure and NMR data processing
Pymol: biomolecular structure viewer Pymolwiki
emolecules.com: compound search
clinicaltrials.gov: FDA drug database
www.pdb.org Protein Data Bank
isiknowledge.com: literature
www.ebi.ac.uk/chembldb: ligand/target database
pubchem.ncbi.nlm.nih.gov: ligand/target database