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Fudan University

Drug Design

Fudan University via XuetangX

Overview






The "Drug Design" course construction of the School of Pharmacy of Fudan University won the second prize of National Teaching Achievement, the first prize of Shanghai Teaching Achievement, the key course of Shanghai Education Commission (2011) and the Shanghai Excellent Course (2012).
The courses are based on the disciplines of life sciences, chemistry and bioinformatics, theoretical chemistry, organic chemistry, and medicinal chemistry related to drug discovery, and are set up 25 theoretical and 8 experimental knowledge points around the theoretical system of drug design, research strategies and methods, experimental principles and operations, and problem discussions, including: introduction, drug targets and their theories, structure-based drug design, lead compound property design optimization, computer-aided drug design experiments; Experimental courses include sequence alignment, protein structure demonstration, the construction and optimization of the three-dimensional structure of small molecules, the construction of small molecule pharmacophore models, and molecular docking, which will greatly help students apply pharmaceutical design to their own scientific research.




Syllabus

  • Chapter 1 Introduction
    • Overview of Drug Design (Part 1)
    • Overview of Drug Design (Part 2)
    • Basic principles of drug design
    • Lead compound discovery pathway
  • Chapter 2 Drug Targets and Theories
    • Target concept
    • Hypothesis of Drug Target
    • Classification of Drug Targets
    • Relevance of Drug Targets
    • Classical vs. Modern Drug Discovery
  • Chapter 3 Drug Design Based on Structure (Part 1)
    • SBDD overview
    • Basic theory, technology and method
    • Theoretical calculation method of molecular three-dimensional structure
    • Molecular modeling technology
  • Chapter 3 Drug Design Based on Structure (Part 2)
    • Direct Drug Design I
    • Direct Drug Design II
    • Indirect drug design â… 
    • Indirect Drug Design II
  • Chapter 4 Lead Compound Property Design Optimization (Part 1)
    • Basic properties of drugs
    • Structure-kinetic relationship and pharmacokinetic group
    • The relationship between macroscopic properties of drugs and pharmacokinetic properties
    • Drug-like and empirical rules
  • Chapter 4 Lead Compound Property Design Optimization (Part 2)
    • The concept of druggability and its evaluation methods in vivo and in vitro
    • CYP450 inhibition and drug toxicity (part 1)
    • CYP450 inhibition and drug toxicity (part 2)
    • How to reduce hERG toxicity and drug optimization strategies
  • Chapter 5 Computer Aided Drug Design Experiment (Part 1)
    • Sequence Alignment
    • Protein structure display
    • Construction and optimization of three-dimensional structures of small molecules
  • Chapter 5 Computer Aided Drug Design Experiment (Part 2)
    • Pharmacophore Construction (Part 1)
    • Pharmacophore Construction (Part 2)
    • Molecular docking (Part1)
    • Molecular docking (Part2)
  • Final exam

    Taught by

    Wei Fu

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