94191 - Advanced Pharmaceutical Analysis

Learning outcomes

The student, as a result of attendance and after passing the final exam, acquires the knowledge of the analytical problems peculiar to the different phases of the drug discovery process, the main techniques and the analytical approaches to support this process, with particular focus on a specific phase of the process itself.

Course contents

The goal of the drug discovery process is to identify and optimize molecules capable of selectively modulating a biological target while possessing suitable properties for further preclinical and clinical development. Beyond biological activity, several parameters must be considered from the earliest stages of research, including target affinity, selectivity, physicochemical properties, ADME profile, and safety. Achieving these objectives requires the use of advanced analytical methodologies capable of supporting decision-making throughout the entire drug discovery workflow.

The course will cover the main analytical, biophysical, and computational methodologies used during the early stages of drug discovery, from the characterization of ligand-target interactions and hit identification to the preliminary assessment of ADME and metabolic properties of drug candidates. Particular emphasis will be placed on advanced approaches for studying target engagement, mechanism of action, and biological activity profiling, as well as on the growing role of artificial intelligence and machine learning in supporting experimental data analysis, accelerating decision-making processes, and improving the efficiency of pharmaceutical research and development. 

The program includes lectures, workshops, case studies, and presentations by early-career researchers delivered by experts from both academia and industry. The course will be held in an intensive format from September 21 to 23, 2026, at the University of Bologna - Rimini Campus.

The main topics covered during the course include:

• AI-driven strategies for early drug discovery
• Regulatory aspects of analytical techniques in drug discovery
• Multimodal analytical techniques for biomolecule and small-molecule characterization
• Biophysical techniques for the investigation of molecular interactions
• Cellular Thermal Shift Assay (CETSA) for target engagement and mechanism-of-action studies
• Mass spectrometry applications for target and hit compound identification
• Native mass spectrometry in early drug discovery
• NMR spectroscopy for the characterization of ligand–protein interactions
• High-throughput activity profiling strategies
• Limited proteolysis-mass spectrometry (LiP-MS) for target identification and binding-site mapping
• Chemometrics and machine learning tools for chemical data analysis
• The role of ADME studies in medicinal chemistry decision-making
• Magnetic resonance techniques for cellular metabolism analysis
• Computational and AI-based approaches for predicting xenobiotic metabolism sites

 

Readings/Bibliography

A pdf file with the presented slides will be provided.

Teaching methods

The course is delivered in English. Few sessions are scheduled for lectures which will be delivered by experts from the academic and industrial sector. the course is delivered as intensive course and classes are scheduled to take place within 3 days in September. Specifically, for the 2026-27 academic year classes will take place from September 21 to September 23, 2025. Since the course ins fully delivered in September, to enrol after having selected the course among your elective courses, please also contact me in due time before the starting date 

The course is delivered in English.

Students with specific learning disabilities (DSA) or temporary or permanent disabilities: it is recommended to contact the appropriate University Office in advance ( [https://site.unibo.it/studenti-con-disabilita-e-dsa/it]). It will be their responsibility to propose any necessary adjustments to interested students, which must be submitted for approval to the teacher at least 15 days in advance, who will evaluate their appropriateness also in relation to the educational objectives of the course.

Assessment methods

An oral exam will be set up to assess the acquisition on the learning outcomes.

Teaching tools

Video projector, PC. Educational material as pdf file

Office hours

See the website of Manuela Bartolini