Hubei University

Medicinal Chemistry (Theory class)

(1107101676)

Syllabus

(Edition 2018)

School of Life Sciences

2018

1. Outline of syllabus

General Medicinal Chemistry (3rd Edition), edited by Guo Zong-ru, is based on the chemical structure of the drug, discuss the physical and chemical properties, pharmacokinetic, pharmacodynamic properties and the general rules of toxic and side effects of drug, study on the mechanisms of drug through the molecular level, described the relationship between the chemical structure, physical and chemical properties and biological activity, the important principles and rulesof drug chemistry, drug design methods and molecular methods. "General Chemistry of Medicines" can be used as a reference book aspharmacy and related life sciences.

2. Course Description and Objective

Medicinal chemistry is a discipline that studies the chemical structure, principle of preparation, physico-chemical properties, metabolic chemistryin vivo, structure-activity relationship,bio-activity, and the development of new drugs using modern scientific methods. This course is to cultivatesenior professionals who can engage in the research, supervision and management of drug synthesis, design and functional gene medicine.

3. Methods of teaching

Integrating theory with practice will be used according to the properties of biological students. Transfer performance, learning by analogy will be used. Multimedia and blackboard-writing will both be considered.

4. Teaching subject

Students major inBiology, Biotechnology and Bioengineering.

5. Prerequisites and Follow-up courses

（1）Prerequisites: Inorganic Chemistry, Organic Chemistry, Introduction to Pharmacy and other related professional courses.

（2）Follow-up courses: Pharmacology and related professional courses

6. Nature of curriculum:Optional course

7. Academic hours, chapters and sections

The total academic hours are 32 and the specific arrangements for each chapter are as follows:

8.Course materials and references

（1）Optional teaching materials

Guo Zong-ru,<General Medicinal Chemistry (3rd Edition)>, Science Press,2010,09.

（2）Main bibliography

1）National Pharmacopoeia Commission, <People's Republic of China Pharmacopoeia (2010 edition) > Chemical Industry Press, 2010

2）Li Rui, <Pharmacology(6rd Edition)>, People's Health PublishingPress, 2007, 08.

9. Assessments

Final Grade Calculation

Final exam: 60%

Team participation, attendance, and problem Sets/Other: 40%

Chapter 1 Introduction

Section 1 Definition and scope of Medicinal Chemistry

Section 2 Review of drug and development of medicinal chemistry

1. Drug discovery period based on the Natural active compounds

2. Drug discovery period based on the synthetic drugs

3. Drug molecular design period

Section 3 Relationship between medicinal chemistry and other subjects

1.Chemistry is the primary ways of constructing and characterizing drug molecules

2. Biology changes and enriches the content of medicinal chemistry

Chapter 2 Chemical Structure and Pharmacokinetics of Drugs

Section 1 The macroscopic nature and microscopic structure of the drug

Section 2 The process of medicinein vivo

1. Pharmaceutics

2. Pharmacokinetic phase

3. Pharmacodynamics

Section 3 Pharmacokinetics and its parameters

1. Apparent distribution volume

2. Clearance rate

3. Half-life

4. Area under the curve

5. Bioavailability

Section 4 Chemical structure and absorption of drugs

1.Biological membranes

2. Drug absorption in the digestive tract

3. Effect of the chemical structure of the drug on absorption

Section 5 Chemical structure and distribution of drugs

1. Effect of drugmolecular size on distribution

2. Effect of drug lipophilicity on distribution

3.Influence of hydrogen bond formation ability on distribution

4. The impact of charge on the distribution

5. The Relationship between the chemical structure of a drug and the tissue composition or protein binding

6.Effects of alkaline drugs on distribution volume and duration

Section 6 Chemical structure and bioconversion of drugs

1. General concept

2. Two stages of drug metabolism

3. Enzymes of oxidative reaction

4. Oxidation reaction

5. Reduction reaction

6. Hydrolysis reaction

7. Conjugation reaction

8. Factors affecting drug metabolism

Section 7 Chemical structure of the drug and elimination process

1. Drug kidney excluded

2. Drug bile excluded

Chapter 3 Determination of Target and Activity of Drug

Section 1 Drug efficacy and chemotherapy drugs

Section 2 General concepts of receptors

Section 3 Recipient target classification

1. Receptor

2. Enzymes

3. Ion channel

4. Transporter protein

Section 4 Determination of drug-receptor interactions

1. The curve of the concentration-effect of agonist

2. Competitive antagonists

3. Concept of partial agonist and potency

Chapter 4 The role of Drugs Basis on the Physical and Chemical

Section 1 Classification of drug effects

1. The structure of non-specific drugs

2. The structure-specific drugs

Section 2 Theory of Drug Receptor Interactions

1.Occupy theory

2. Affinity and internal activity theory

3.The rate theory

Section 3 Drug receptor interaction energy

1. Molecular recognition and interaction

2. The type of drug receptor binding

Chapter 5 Relationship between the Chemical Structure and Biological Activity

Section 1 Defines and scope

Section 2 Pharmacophore

1. The general concept of pharmacophore

2. The physicochemical characteristics of the pharmacophore

3. The generation of pharmacophores

4. Pharmacophore example

Section 3 Toxic groups

1. Electrophilic groups

2. induced by metabolism generated toxic groups

Section 4 Changes in group impact on the activity

1. Acidity and alkalinity groups

2. Acyl

3. Alkyl

4. Halogen

5. Hydroxyl

6. Mercapto and dithio

7. Ether and thioether

8. Nitro

Chapter 6 Quantitative Structure-Activity Relationship

Section 1 Overview

1. Definition of the quantitative structure-activity relationship

2. Quantitative structure-activity relationship between the historical development and scope of the study

Section 2 Linear correlation analysis of free energy

1. Hansch. Fujita analysis of the export

2. Hansch. Fujita analysis of the steps

3. The selecting of the first batch of compounds

4. The representation of biological parameters

Section 3 Parameter of the physical and chemical

1. The electrical parameters

2. Hydrophobic parameters

3. The three-dimensional parameters

4. Indicating variables

Section 4 Example

1. The antimicrobial effect of sulfa compounds

2. The anti-leukemia effect of nitrosourea

3. Anti-cancer effect of aromatic triazine compounds

4. Quinolone antibacterial effect

5. The anti-allergy drugs pyranylene amine design

Chapter 7 Methods and Strategies of Drug Molecular Design

Section 1 The basic method of drug molecular design

Section 2 Strategy of drug molecular design