CODE 101670 ACADEMIC YEAR 2022/2023 CREDITS 1 cfu anno 4 CHIMICA E TECNOLOGIA FARMACEUTICHE 8451 (LM-13) - GENOVA 1 cfu anno 3 CHIMICA E TECNOLOGIA FARMACEUTICHE 8451 (LM-13) - GENOVA SCIENTIFIC DISCIPLINARY SECTOR CHIM/08 LANGUAGE Italian TEACHING LOCATION GENOVA SEMESTER 2° Semester MODULES Questo insegnamento è un modulo di: OPTIONAL SUBJECTS TEACHING MATERIALS AULAWEB OVERVIEW The course is developed with theoretical and practical lessons. The main topics of the course are focused on in silico evaluation of pharmacokinetic and safety properties of potential drug candidates, in order to identify the most promising and drug-like compounds along the drug discovery process. AIMS AND CONTENT LEARNING OUTCOMES The course aims to provide a basic understanding about the medicinal chemistry strategies as well as the computational methods exploring the pharmacokinetic profile of drug candidates in terms of bioavailability, ability to pass the blood brain barriers, drug distribution and metabolism. Evaluation of potential toxicity or safety profile of drugs are considered by means of computational methods. AIMS AND LEARNING OUTCOMES The course consists of lectures and practical simulations focused on the available online resources and software to explore the main pharmacokinetic properties of drugs. The course aims to provide a basic understanding of the medicinal chemistry strategies to optimize the drug candidate bioavailability, metabolism and safety profile. In silico strategies allow to preliminary evaluate and assess the most drug-like derivatives thanks to prediction of the related pharmacokinetic parameters. TEACHING METHODS The course is developed with theoretical and practical lessons (8 hours). SYLLABUS/CONTENT Theoretical and practical topics Computational methods to manage in silico drugs and biological targets. Medicinal chemistry methods to optimize pharmacokinetic profile of drug candidates. Database and online resources to explore proteins and drugs, as pharmacokinetic properties in silico evaluation of the bioavailability and safety profile of drugs In silico evaluation of drug binding to plasmatic proteins and cytochrome substrate/inhibitor ability In silico prediction of toxicity events (hERG channel inhibition) RECOMMENDED READING/BIBLIOGRAPHY • Introduzione alla Chimica Farmaceutica, Seconda Edizione – Graham L. Patrick, EDISES • Manuale di Chimica Farmaceutica- Progettazione, meccanismo d’azione e metabolismo dei farmaci, Richard B. Silverman, Mark W. Holladay - EDRA • Chimica Farmaceutica-I processi di scoperta dei farmaci, Erland Stevens-PICCIN TEACHERS AND EXAM BOARD ELENA CICHERO Ricevimento: From Monday to Friday, by email appointment Exam Board BRUNO TASSO (President) ELEONORA RUSSO LESSONS LESSONS START In the second semester Class schedule The timetable for this course is available here: Portale EasyAcademy EXAMS EXAM DESCRIPTION Oral test ASSESSMENT METHODS The examination includes an oral test and an evaluation of the student acquired ownership of the main computational strategies applied for preliminary assess the drug-like properties of potential drug candidates.