5th BIP Drug Design and Discovery @ Rome 2026

The fifth edition of the Drug Design and Discovery program is multidisciplinary and focuses on understanding interactions between pharmacologically interesting targets and small molecules.

The program uses chemical, biophysical, and computational chemistry methods. Academics from CIVIS partner universities will deliver lectures and laboratory practical sessions that will prepare students with knowledge regarding various scientific approaches applied in each stage of the drug design and development process.

National Kapodistrian University of Athens, Aix-Marseille University, Sapienza University, Autonomous University of Madrid, University of Tübingen, and University of Bucharest, will jointly deliver lectures and laboratory practical sessions. These sessions will provide students with knowledge of the various scientific approaches applied at each stage of the drug design and development process.

The main topics addressed include:

• Molecular interactions, versatility of halogen bonding, principles and applications of chalcogen bonding, thermodynamics in drug discovery, drug discovery process and technologies, fragment-based drug discovery, hit to lead optimization, the molecular drug space selection and optimization
• Biophysical assays for high throughput screening or characterization of interactions: Microcalorimetry ITC & DSC, nanoDSF, Analytical Ultra-Centrifugation, Surface Plasmon Resonance, NMR, Xray Crystallography
• Mass spectrometry and bioanalytics, NMR-based metabolomics, applied bioanalytics
• Pharmaceutical biotechnology: Nanobody technology platform
• Natural products: RiPP engineering technology, genome mining
• Cellular and animal models for preclinical screening and toxicity studies
• Neurodegenerative diseases, methods to measure calcium, potassium ion signaling in cell metabolism, immunomodulation
• Microbicidal versus antipathogenic strategies, methods for the in vitro assessment of antimicrobial activity
• Principles and applications in anti-cancer drug discovery, PROTACs, epigenetics, covalent inhibitors
• Drug Synthesis
• Academic drug design & discovery / industrial drug discovery
• Virtual screening, molecular docking, pharmacophore modelling, QSAR, machine learning & AI, free energy methods
• Bioinformatic in Drug Design
• Pharmacokinetics, physiologically-based PK-models
• Direct powder extrusion 3D-printing, embedding of nanoparticles in solid (orodispersible) matrices.
• Clinical trials, regulatory affairs
• Intellectual property and pharmaceutical patents

The Drug Design programme focuses on understanding the interactions between pharmacologically interesting targets and small molecules using biophysical methods or computational chemistry approaches. The topics addressed include:

• Molecular interactions
• Thermodynamics in drug discovery
• The drug discovery process and technologies
• Fragment-based drug discovery, hit-to-lead optimization, and molecular drug space selection and optimization.
• Biophysical assays for high-throughput screening or characterization of interactions. Microcalorimetry (ITC & DSC), NanoDSF,Analytical ultracentrifugation, surface plasmon resonance, nuclear magnetic resonance (NMR), and X-ray crystallography.
• Cellular and animal models for preclinical screening and toxicity studies
• Virtual Screening, Pharmacophore modelling, QSAR, Molecular Docking
• Clinical Trials, Regulatory Affairs, Patent writing and application

Practical Workshops:

• Gastroplus ADMET predictor to screen gastro-intestinal absorption and metabolism properties
• Chemical Synthesis: practical application in lab of chemical reaction.
• Extraction of natural compounds: distillation of essential oils.

Participants will:

• learn and practice in a multicultural environment;
• understand the current challenges and main approaches in the modern drug design and discovery process;
• acquire knowledge and practical skills concerning in silico and wet lab methods used for drug design and development;
• develop specific, transferable skills relevant to a variety of scientific and professional careers in the medical and pharmaceutical industries.

The physical mobility section of the BIP will take place between 15-19 June 2026, in Rome, Italy. During the one-week summer school, students will participate in lectures, seminaries, hands-on-courses and practical tutorials covering the following topics:

• New strategies to develop drugs for neurodegenerative diseases/ Methods to measure calcium - Tools for drug discovery - Prof. Maria F. Cano Abad, Facultad de Medicina, UAM
• Microbicidal versus antipathogenic strategies in antimicrobial drug discovery - Prof. Dr. Carmen Chifiriuc, UB
• Introduction to physiologically-based modelling - Prof. Florence Gattacceca, Faculty of Pharmacy, AMU
• Methods for the In vitro Assessment of Antimicrobial Activity - Prof. Dr. Luminita Marutescu, Faculty of Biology, UB
• NMR-based Metabolomics - Prof. Emmanuel Mikros, Faculty of Pharmacy, NKUA
• Practical Aspects in Molecular Docking -  Prof. Rino Ragno, Faculty of Pharmacy, SUR
• Extraction of Natural Compounds -  Prof. Rino Ragno, Faculty of Pharmacy, SUR
• The Versatility of Halogen Bonding/ Methods in CompChem - Choose wisely and apply with care! - Prof. Frank M. Böckler, Dept. of Pharmacy and Biochemistry, Faculty of Science, UT
• Principles and Applications of Chalcogen Bonding/ Introduction Hands-on-Course: CompChem/ VS/ ML -  Dr. Markus O. Zimmermann, Dept. of Pharmacy and Biochemistry, Faculty of Science, UT
• Gastroplus ADMET Predictor to Screen Gastro-intestinal Absorption and Metabolism Properties - Prof. Florence Gattacceca, Faculty of Pharmacy, AMU
• Extraction of essential oils in practice - Prof. Rino Ragno, Faculty of Pharmacy, SUR
• Practical Synthesis in Medicinal Chemistry - Prof. Sergio Valente, Faculty of Pharmacy, SUR
• Computational Chemistry/ Virtual Screening/ Machine Learning -  Dr. Markus O. Zimmermann, Dept. of Pharmacy and Biochemistry, Faculty of Science, UT
• Molecular-Biophysics (Differential Scanning Fluorimetry/ Isothermal Titriation Calorimetry/ Fluorescence Polarization/ Crystallography) - Prof. Frank M. Böckler, Dept. of Pharmacy and Biochemistry, Faculty of Science, UT

The schedule of the physical part is:

Monday, 15 June 2026

• 08:30-09:00 - arrival at Sapienza
• 09:00-09:45 - R. Ragno & A. Mai: Opening Session
• 09:45-10:30 - A. Mai: Introduction to Epigenetic in Drug Design
• 10:30-11:15 - A. Mai: Epigenetic Drugs
• 11:15-12:00 - F. M. Böckler: The Versatility of Halogen Bonding
• 12:00-13:30 - lunch break
• 13:30-14:15 - M. O. Zimmermann: Principles and Applications of Chalcogen Bonding
• 14:15-15:00 - C. Chifiriuc: Microbicidal versus antipathogenic strategies in antimicrobial drug discovery
• 15:00-15.45 - L. Marutescu: Methods for the In vitro Assessment of Antimicrobial Activity
• 15:45-16:15 - coffee break
• 16:15-17:00 - M. F. Cano Abad: New strategies to develop drugs for neurodegenerative diseases
• 17:00-20:00 - welcome party

Tuesday, 16 June 2026

• 08:30-09:00 - arrival at Sapienza
• 09:00-09:45 - M.O.Zimmermann: Machine Learning Approaches - The Long Path to Artificial Intelligence
• 09:45-10:30 - F. M. Böckler: Methods in CompChem -Choose wisely and apply with care!
• 10:30-11:15 - S. Alibert: Translating molecular insight into therapeutic advances: AI-powered redesign of antibiotics against MDR bacteria
• 11:15-12:00 -S. Valente: Medicinal Chemistry in Action
• 12:00-13:30 - lunch break
• 13:30-15:45 - S. Valente: Medicinal Chemistry in Action
• 15:45-16:15 - coffee break
• 16:15-17:00 - S. Valente: Medicinal Chemistry in Action
• 17:00-22:00 - free dinner

Wednesday, 17 June 2026

• 08:30-09:00 - arrival at Sapienza
• 09:00-09:45 - F. Gattacceca: Introduction to physiologically-based Modelling
• 09:45-11:15 - F. Gattacceca: Gastroplus ADMET Predictor to Screen Gastro-intestinal absorption and metabolism properties
• 11:15-12:00 - C. Lambona & E. Fabbrizi
• 12:00 - free afternoon and dinner

Thursday, 18 June 2026

• 08:30-09:00 - arrival at Sapienza
• 09:00-09:45 - E. Mikros: NMR-based Metabolomics
• 09:45-10:30 - F. Fiorentino: Native mass spectrometry meets drug discovery: unravelling protein function and modulation
• 10:30-11:15 - C. Fraschetti: From Plant to Peak: Decoding Essential Oil Chemistry with GC/ MS
• 11:15-12:00 – R. Astolfi & L. Giuliani: Applications of Machine Learning Algorithm
• 12:00-13:30 - lunch break
• 13:30-14:15 - R. Ragno: Extraction of Natural Compounds
• 14:15-15:45 - R. Ragno, R. Astolfi, L. Giuliani, A. Robello, F.Pirozzi: Practical Extraction of Essential Oil
• 15:45-16:15 - coffee break
• 16:15-17:00 - R. Ragno, R. Astolfi, L. Giuliani, A. Robello, F. Pirozzi: Practical Extraction of Essential Oil
• 17:00-22:00 – free dinner & speaker’s dinner

Friday, 19 June 2026

• 08:30-09:00 - arrival at Sapienza
• 09:00-12:00 - student oral presentation (discussion)
• 12:00-13:30 - lunch Break
• 13:30-15:00 - student oral presentation (discussion)
• 15:00-15.45 - coffee Break
• 15:45-16:15 - feedback BIP & discussion with students
• 16:15-17:00 - internal meeting discussion
• 18:00-22:00 - social dinner

Saturday, 20 June 2026

• 09:00-12:00 - optional social program: visit to Foro Romano guided by Prof Paolo Carafa

The course will run online six hours per week (a total of 8 weeks), between 8 April - 29 May 2026:

Week 1

• Wednesday, 8 April, 
• • 14:00-17:00 CET: Prof. Frank M. Boeckler - From Charges to π‐systems: Classical Molecular Interactions – Familiar, yet still Surprising; Non‐Classical Molecular Interactions: New Tools, New Rules
• Friday, 10 April, 
• • 14:00-17:00 CET: Prof. Frank M. Boeckler - The Drug Discovery Process & Technologies ‐ Strategies, Issues, Costs, Outlook; Thermodynamics in Drug Discovery (in Hit2Lead / LeadOpt); Molecular Complexity & Fragment‐based Drug Discovery Hit‐to‐Lead optimization, Co‐optimizing Ligand Properties, Avoiding late Attrition

Week 2

• Wednesday, 15 April, 
• • 14:00‐15:30 CET: Dr. Miruna Stan - In Vitro Cell Culture Models and Evaluation of Drug Effects
  • 15:30‐17:00 CET: Neurodegenerative Diseases and Drug Discovery Prof. Maria Cano‐Abad                 
• Friday, 17 April, 
• • 14:00‐15:00 CET: Dr Gratiela Gradisteanu - Immunomodulation and Drug Impact on Cytokine Production and on the M1/M2 Macrophage Phenotype
  • 15:00‐17:00 CET: Prof. Luminita Marutescu - Evaluation Drug‐induced Responses in Cultured Cells at Specific Time Points (Cell Cycle Analysis and Apoptosis). Screening of Drug‐induced Reactive Oxygen Species Production in Leukocytes Subpopulations in Whole Blood (Ex‐vivo)

Week 3

• Wednesday, 22 April, 
• • 14:00-17:00 CET: Prof. Francois Devred - Microcalorimetry (ITC, DSC) and NanoDSF : Application to Anticancer Drugs Screening and Thermodynamic Characterization
  • 14:00-17:00 CET: Prof. Emmanuel Mikros - Introduction to NMR Spectroscopy and Related Screening Methods

Week 4

• Wednesday, 29 April, 14:00-17:00 CET: Prof. Florence Gattacceca - Pharmacokinetics in Drug Discovery and Development: Physiologically‐ based PK (PBPK) Models
• Thursday, 30 April, 14:00-17:00 CET: Prof. Sandrine Alibert - Facts and Principles in Drug Discovery and Development: the Molecular Drug Space Selection and Optimization

Week 5

• Wednesday, 6 May, 
• • 14:00‐17:00 CET: Prof. Antonello Mai - Introduction to Epigenetics and Related Drugs
• Friday, 8 May, 
• • 14:00‐17:00 CET: Prof. Sergio Valente - Synthesis Strategies to Prepare Epigenetic Small Molecules Modulators

Week 6

• Wednesday, 13 May, 
• • 14:00‐15:30 CET: Dr. Dr. Javier Blanco - Animal models for metabolism diseases
  • 15:30‐17:00 CET: Dr. Gratiela Gradisteanu - Animal Models (Ethical Considerations, Experimental Design, In vivo Analysis of Drug Effects)
• Friday, 15 May, 
• • 14:00‐15:30 CET: Dr. Maria del Carmen Ovejero Benito - New targets and potential drug candidates for refractory epilepsy
  • 15:30‐17:00 CET: Dr. Matthias Bauer - Fragment-based Approaches towards PROTAC Development and Free Energy Methods in Industry

Week 7

• Wednesday, 20 May, 14:00-17:00 CET: Prof. Allegra Via - Integrating Bioinformatics and Drug Design: Concepts, Tools, and Applications
• Friday, 22 May, 14:00-17:00 CET: Prof. Rino Ragno - Introduction to Ligand‐based Methods: Pharmacophore Modeling, (3D) QSAR

Week 8

• Wednesday, 27 May, 
• • 14:00‐17:00 CET: Prof. Rino Ragno - Introduction to Structure‐based Methods in Drug Design: Molecular Docking
• Friday, 29 May, 
• • 14:00‐15:30 CET: Prof. Markus Zimmermann - Machine Learning and Artificial Intelligence in Drug Discovery
  • 15:30‐17:00 CET: Prof. Evangelos Terpos - Clinical Trials

Student evaluation in the physical mobility segment will be based on the performance of each student during the hands-on sessions Evaluation will be performed u

During the online course, students will be asked to indicate their preference for an oral or poster presentation. Students selected for an oral presentation may also present a poster on a different topic.

Evaluation criteria for the virtual part:

• attendance to the course (with a mandatory minimum of 80%)
• presentation and performance in the sessions of manuscripts discussion and practical tasks
• multiple-choice questions (MCQ) test will be performed at the end of the virtual component program online via the CIVIS platform.

Overall, the evaluation of the virtual part of the program will be based on:

1. MCQ test (40 %)*
2. assistance (20%).

* 1. and 2. will represent in total 90% of the virtual mobility evaluation.

Student evaluation in the physical mobility segment will be based on the performance of each student during the hands-on sessions. Evaluation will be performed using 2 main items:

1. Manuscript presentations (40%)
2. Assistance (20%).

* 1. and 2. will represent in total 90% of the physical mobility evaluation

All students must participate in the final day (Friday) of the physical part by giving a short oral presentation and/ or presenting a poster.

sing 2 main items: 1. Manuscript presentations (40%) 2. Assistance (20%). * 1. and 2. will represent in total 90% of the physical mobility evaluation

Motivation Letter

Level of english (According to CEFR)

CV

The applications will be evaluated based on the CV and motivation

• prof. Rino Ragno, full professor of medicinal chemistry at the Faculty of Pharmacy and Medicine at SUR;
  
• prof. Antonello Mai, full professor of medicinal chemistry at SUR's Faculty of Pharmacy and Medicine;
• prof. Sergio Valente, Associate Professor at the Department of Drug Chemistry and Technologies, SUR;
• prof. Allegra Via, Bioinformatician at SUR;
• dr. Caterina Fraschetti, Researcher in Mass Spectrometry applications for metabolomic studies and characterization of molecular structures in the gas phase, at the Department of Drug Chemistry and Technologies, SUR;
• prof. Francesco Fiorentino, Assistant Professor of Biochemistry at SUR; 
• prof. Emmanuel Mikros, Chemist, Professor in the Pharmaceutical Chemistry at NKUA;
• prof. Evangelos Terpos, MD, PhD is a Professor of Hematology and Director of Stem Cell Transplantation Unit in the Department of Clinical Therapeutics of the NKUA' School of Medicine; 
• prof. María F. Cano-Abad, Pharmacist, Lecturer of Pharmacology, Pharmacology Department, UAM;
• dr. Javier Blanco-Rivero, Physiologist from UAM;
• dr. Maria del Carmen Ovejero Benito, postdoctoral researcher and principal investigator with extensive multidisciplinary experience across neuroscience, pharmacogenetics, and molecular biology (UAM);
• prof. Frank Böckler, Pharmacist, Professor for Medicinal Chemistry and Drug Design, UT; 
• dr. Matthias Bauer, Senior Expert II Data Science at NovartisInstitutes for BioMedical Research (NIBR);
• prof. Markus Zimmermann, Postdoctoral Research Associate and Computational Biologist at the Lab for Molecular Design & Pharmaceutical Biophysics, UT;
• prof. Sandrine Alibert-Franco, Pharmaceutical Chemist, Associate Professor in Medicinal Chemistry, Pharmaceutical Chemistry Department of the Faculty of Pharmacy of AMU;
• prof. Florence Gattacceca, associate professor in pharmacokinetics at AMU;
• prof. François Devred, Professor in Biophysics, in the Faculty of Pharmacy of AMU;
• prof. Luminita Marutescu, Biologist, Associate Professor in Microbiology and Immunology, UB, holds a PhD in Microbiology;
• prof. Carmen Chifiriuc, Professor of Microbiology and Immunology, UB;
• dr. Miruna Stan, Biochemist, Lecturer of Metabolism, Enzymology and Toxicology, UB;
• dr. Gratiela Gradisteanu, Microbiologist from University of UB.