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H01033-Hóa Dư C 1-Lecture 1-Introduction To Medicinal Chemistry
H01033-Hóa Dư C 1-Lecture 1-Introduction To Medicinal Chemistry
1. Beale, J.M., Block, J.H. (2011). Wilson and Gisvold’s Textbook of Organic
Medicinal and Pharmaceutical Chemistry 12th edition, Lippincott Williams &
Wilkins: Baltimore. Chapter 2. Drug Design Strategies, p.p. 3-42.
2. Thomas L.L., David A.W. (2013). Foye’s Principle of Medicinal Chemistry 7th
edition, Lippincott Williams & Wilkins: Baltimore. Part I. Principles Of Drug
Discovery, p.p. 13-61.
3. Huỳnh Thị Ngọc Phương (2022). Hóa dược 1, NXB Đại học Quốc gia TPHCM.
Phần 1. Những vấn đề cơ bản liên quan đến Hóa Dược, p.p. 3-92.
2. Define the major biological targets for drugs and how these drugs achieve their
pharmacological effect
DISCOVERY, DESIGN, IDENTIFICATION THE STUDY OF THEIR METABOLISM, THE CONSTRUCTION OF STRUCTURE
AND PREPARATION OF BIOLOGICALLY THE INTERPRETATION OF THEIR - ACTIVITY RELATIONSHIPS.
ACTIVE COMPOUNDS. MODE OF ACTION.
Closely related to
• Pharmacology
• Clinical pharmacy
• Pharmaceutic
Tác dụng kết hợp của hai thuốc cao hơn tác dụng riêng lẻ
Competitive antagonist
Noncompetive antagonist
ANTAGONISM
• Emax is the maximum response that can be achieved by this drug under these conditions
• EC50 is the drug conc. At which 50% of the maximum response is observed
• EC50 provides a measure of drug potency
EXERCISE
• Drug-receptor interactions
• Pharmacokinetic
• Pharmaceutical biology
Artemisinin Ascaridole
Antimalarial Anthelmintic Vasoconstriction Vasodilator
Cinchocain
Maximum local anesthetic effect
Decamethonium
Inhibit neuromuscular conduction
Muscle relaxation effect
(R)-(−)-Epinephrine (S)-(+)-Epinephrine
Thalidomide
H
OH
N O
N O
Cl
Levocetirizine Levofloxacin
Dexibuprofen Esomeprazol
trans-diethylstilbestrol cis-diethylstilbestrol
Treatment of prostate cancer 15 times weaker effect
Prevent miscarriage
• Passive diffusion
• Facilitated passive diffusion
• Active transport
• Pinocytosis
• Gastrointestinal metabolism
• GI metabolism
• Solubility
• Permeability
• MW ≤ 500 g/mol
• Hydrogen bond donors (HBD) ≤ 5 (OH + NH)
• Hydrogen bond acceptors (HBA) ≤ 10 (O + N)
• Log P ≤ 5
• Stomach metabolism
• Solubility
• Permeability
• First-pass effect
• Natural products
• Collections of compounds
• High-throughput synthesis of a library of compounds
• Solid-phase synthesis
• Homologation
• Chain branching often lowers potency and/ or changes activity; interferes with receptor binding
LEAD OPTIMIZATION
• Isosterism
• O - S; F - Cl - Br - I
• CH4 - NH4+
• CO2 - N2O
• NH3 - H3O+
• Bioisosterism
Narrow spectrum
Destroyed by gastric fluid
Resistance S. aureus
Acid resistance
Oral administration
Broad spectrum
Oral administration
Atropine
Decrease Ipratropium bromide Homatropine
smooth Decrease smooth Dilated pupil is shorter
muscle muscle spasm, selective than atropine
spasm, effect on the bronchus
dilated pupil