Computational Medicinal Chemistry

Course objectives

The course is aimed at providing the students conceptual basis and technical knowledge to design new chemical entities. In particular, during the course the students will develop computational skill in physical-chemistry theory of medicinal chemistry. Methods in both ligand-based drug design (no knowledge of target) and structure based drug design (known structure of the target) will be learned both in theoretical aspects and in detailed practical sessions. Practical sessions will also introduce the students to the use of personal computers. Acquired knowledges Make structure-activity relationships for a given series of bioactive compounds and rationalization of their quantitative and structural features to design new molecular entities of pharmaceutical interest. Acquired competences Setup a rational approach for the rational design of new derivatives through LBDD and SBDD software techniques.

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RINO RAGNO Lecturers' profile
  • Lesson code10589430
  • Academic year2025/2026
  • CoursePharmaceutical Biotechnology
  • CurriculumSingle curriculum
  • Year2nd year
  • Semester1st semester
  • SSDCHIM/08
  • CFU6
  • Subject areaDiscipline farmaceutiche