OVERVIEW

This course, taught in English, aims to provide students with the fundamental concepts of drug design and drug synthesis, with particular emphasis on innovative methodologies employed in modern drug discovery. Through the study of computer-aided rational drug design approaches and traditional and combinatorial synthetic strategies, students will gain an integrated overview of the principal techniques currently used in the discovery and development of novel bioactive molecules.

AIMS AND CONTENT

LEARNING OUTCOMES

The course aims to provide key concepts of drug design and synthesis, with particular reference to innovative methodologies.

AIMS AND LEARNING OUTCOMES

Attendance of lectures and individual study will enable students to:

• understand the major challenges associated with the design and synthesis of new drugs;
• identify the most appropriate design and synthetic approaches for the different stages of the drug discovery process;
• distinguish between classical structure–activity relationship (SAR)-based approaches and rational drug design strategies;
• critically evaluate the advantages and limitations of different synthetic methodologies (solution-phase synthesis, solid-phase synthesis, traditional synthesis, and combinatorial chemistry);
• acquire the scientific terminology required to accurately describe the design and synthetic methodologies presented during the course;
• develop critical thinking and problem-solving skills applied to drug design and development.

Expected Learning Outcomes

Knowledge and Understanding

Upon completion of the course, students will understand the theoretical principles underlying rational drug design and the main synthetic strategies employed in drug discovery, as well as the computational and experimental methodologies used for the identification and optimization of new drug candidates.

Applying Knowledge and Understanding

Students will be able to:

• select the most appropriate computational and synthetic approaches for the various stages of drug development;
• critically interpret data derived from structure–activity relationship (SAR) and quantitative structure–activity relationship (QSAR) studies;
• propose rational strategies for the design and synthesis of novel bioactive molecules;
• apply computational tools to support drug design and lead optimization.

Making Judgements

Students will develop the ability to critically assess the strengths and limitations of different drug design and drug synthesis methodologies, applying scientific reasoning to solve problems in pharmaceutical research.

Communication Skills

Students will be able to use appropriate scientific terminology and discuss, in English, the main concepts related to drug design and synthesis, communicating strategies, methodologies, and results in a clear and rigorous manner.

Learning Skills

Students will acquire the methodological tools required to independently deepen their knowledge of advanced topics in medicinal chemistry, drug design, and the synthesis of biologically active molecules, including through the consultation of the international scientific literature.

PREREQUISITES

A solid background in organic chemistry, biochemistry, medicinal chemistry, and pharmacology is required for successful attendance of the course.

TEACHING METHODS

The course consists of two-hour face-to-face lectures supported by teaching materials provided by the instructor.

SYLLABUS/CONTENT

Computational Techniques of Drug Development

The drug discovery process. Classical approaches to the development of structure–activity relationships (SAR). Pharmacokinetics: factors affecting drug absorption, distribution, metabolism, and excretion (ADME). Pharmacodynamics: drug–receptor interactions. Rational drug design. Molecular mechanics and quantum mechanical methods. Conformational analysis and energy minimization techniques. Protein-based approaches (molecular docking and de novo design). Ligand-based approaches (QSAR and molecular field methods).

Drug Synthesis

Introduction to Drug Design & Development. Combinatorial chemistry: principles and applications. Click Chemistry. Solution-phase synthesis. Solid-phase synthesis and its applications in combinatorial chemistry. Polymer-assisted synthesis. Tagging and deconvolution strategies. Flow Chemistry. Green Chemistry. Microwave-assisted synthesis.

Recent case studies and examples from the scientific literature will be discussed throughout the course to illustrate the practical application of the methodologies presented and to foster students’ critical thinking skills.

RECOMMENDED READING/BIBLIOGRAPHY

The teacher will propose several papers from literature to integrate the topics discussed during the lessons.

TEACHERS AND EXAM BOARD

Exam Board

VALERIA FRANCESCONI (President)

ANDREA SPALLAROSSA (President)

LESSONS

LESSONS START

According to the academic calendar, in the second semester

Class schedule

The timetable for this course is available here: Portale EasyAcademy

EXAMS

EXAM DESCRIPTION

Assessment consists of an oral examination covering all topics discussed in both sections of the course.

ASSESSMENT METHODS

The oral examination is designed to evaluate not only the student's knowledge and understanding of the course content but also their ability to critically apply this knowledge to problems related to drug design and synthesis. Discussion of case studies and examples presented during the course may be included in the examination.

FURTHER INFORMATION

Students may contact the instructors by e-mail to arrange appointments or request further clarification regarding course topics.