Introduction to drug discovery; introduction to QSAR;; molecular modeling; principles of conformational analysis; visualization of macromolecules; principles and applications of molecular docking; patent basics; practical cases of molecular docking
Learning Objectives
Knolewdge acquired:
Basics of Drug discovery
Competence acquired
Theoretical and practical principles for the rational design of natural product-mimetic compounds of biological interest.
Skills acquired (at the end of the course):
Design and evaluation of target-ligand interactions at molecular level
Teaching Methods
Total hours of the course (including the time spent in attending lectures, seminars, private study, examinations, etc...): 150
Hours reserved to private study and other individual formative activities: 102
Contact hours for: Lectures (hours): 48
Contact hours for: Laboratory (hours):0
Further information
Frequency of lectures, practice and lab:
Recommended
Teaching tools
Softwares for protein visualization and molecular docking simulations
Type of Assessment
written exam
Course program
Introduction to drug discovery; target and ligand identification; virtual screening; fragment-based drug discovery; lead transformations; isosteres and bioisosteres; introduction to QSAR; peptide synthesis and SPPS; case study: HIV drug discovery; molecular modeling; principles of conformational analysis; PDB and PubMed databases; visualization of macromolecules; principles and applications of molecular docking; patent basics; practical cases of molecular docking.