Medicinal Chemistry for Drug Design

Undergraduate course: PR2115/PR2115A, NUS, Department of Pharmacy, 2021

As a TA of the PR2115 module, I’m responsible for the coordination and demonstration how to apply computational methodologies to derive lead compounds from databases, derive pharmacophore from bioactive compounds and rationalise the optimal drug-target interaction through docking experiments. This module explores how chemists design and synthesise safe and effective drugs, using a combined knowledge of organic chemistry, drug discovery principles and drug metabolism. In this module, students will learn:

  • The relationship between structure, physicochemical properties and the molecular basis of drug action
  • To apply computational methodologies to derive lead compounds form databases, pharmacophore from bioactive compounds and databases
  • To learn how to design and optimise drug molecules through knowledge of drug-target interactions and through through docking experiments

Foundations for Medicinal Chemistry

Undergraduate course: PR1110/PHS1110, NUS, Department of Pharmacy, 2019

The PR1110 module covers essential topics in medicinal and synthetic organic chemistry that serve as the foundation for understanding the principles of drug discovery and development. Functional groups and ring structures are the key features that confer physicochemical and reactivity properties to chemical and biological drug molecules. Physicochemical properties that contribute to variation in drug likeness will be dealt with in detail. Functional groups and rings that are susceptible to structural derivatisation will be discussed in terms of the reaction mechanism involved illustrating how structural modifications can create better drug likeness

Computer Aided Drug Design

graduate course: CADD, THU, Department of Chemistry, 2013

Computer-Aided Drug Design (CADD) is a new technology developed in the past 30 years and has gradually become an independent branch of pharmacy. Base on Mathematics, Medicinal Chemistry, Biochemistry, Molecular Biology and Structural Chemistry, Quantum chemistry, and molecular mechanics, CADD use computer numerical calculation and logical judgment, database, graphics, artificial intelligence to carry out rational drug design. This module includes all the basics and concepts of drug discovery, the course objectives:

  • Drug discovery, optimization and development.
  • Understanding how drugs function at the molecular level.
  • Research on medicinal chemoinformatics using programming skills.