LABORATORY FOR DRUG DESIGN AND SYNTHESIS
Learning outcomes of the course unit
Provide introductive knowledge on the application of QSAR and molecular modeling to drug design and structure-activity studies. Training with chemical reactions employed for drug synthesis.
The exams of Drug Analysis and Medicinal Chemistry I must be passed before the student can be examined.
Course contents summary
1. QSAR and molecular modelling
Chemometric and molecular modeling tools: theoretical and statistical basis; applications to medicinal chemistry problems. Experimental design for compound selection aimed at structure-activity relationship studies. Multivariate analysis of QSAR: multi-linear regression and PLS. Energy minimization and conformational analysis on molecular models. Pharmacophore search. 3D-QSAR.
2. Drug synthesis
Some drugs will be prepared during lab exercitations, starting from commercially available chemicals and reagents.
A. GASCO, C. SILIPO, A. VITTORIA: "Le basi chimico-fisiche della progettazione dei farmaci", SES, Napoli.
G.L. PATRICK: " An introduction to Medicinal chemistry"; Oxford Un. Press.
VOEGEL: "Chimica Organica Pratica" Ed. Ambrosiana
Oral lessons. Computer training and exercitaion with statistical and modelling software. Chemical synthesis training in the laboratory.