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
selected articles, book chapters and lectures slides
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
Prerequisites
knowledge of basics of organic chemistry
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): 40
Contact hours for: Laboratory (hours): 12
Further information
Frequency of lectures, practice and lab:
Recommended
Teaching tools
Softwares for protein visualization and molecular docking simulations
Type of Assessment
written exam aimed at verifying the competence acquired in theoretical and practical principles for the rational design of biologically active compounds
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.