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药物化学
Medicinal Chemistry
Chapter 0
Introduction
0.1 Basic defination, characteristics
and tasks of Medicinal chemistry
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A drug, broadly speaking, is any substance that, when
absorbed into the body of a living organism, alters normal
bodily function. There is no single, precise definition, as there
are different meanings in drug control law, government
regulations, medicine, and colloquial usage.
In pharmacology, a drug is defined as "a chemical substance
used in the treatment, cure, prevention, or diagnosis of
disease or used to otherwise enhance physical or mental wellbeing.
Drugs are usually distinguished from endogenous
biochemicals by being introduced from outside the organism.
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Medicinal chemistry is a discipline at the intersection of
chemistry and pharmacology involved with designing,
synthesizing and developing pharmaceutical drugs.
Medicinal chemistry involves the identification,
synthesis and development of new chemical entities
suitable for therapeutic use. It also includes the study
of existing drugs, their biological properties, and their
quantitative structure-activity relationships (QSAR).
Pharmaceutical chemistry is focused on quality aspects
of medicines and aims to assure fitness for the purpose
of medicinal products.
Medicinal chemistry is a highly interdisciplinary
science combining organic chemistry with biochemistry,
computational chemistry, pharmacology,
pharmacognosy, molecular biology, statistics, and
physical chemistry.
0.2 Development and process of the drugs
Discovery:
The first step of drug discovery involves the
identification of new active compounds, often called
"hits", which are typically found by screening many
compounds for the desired biological properties.
These hits can come from natural sources, such as
plants, animals or fungi. More often, the hits can
come from synthetic sources, such as historical
compound collections and combinatorial chemistry.
Optimization:
Another step in drug discovery involves further chemical
modifications in order to improve the biological and
physiochemical properties of a given candidate compound
library. Chemical modifications can improve the
pharmacophores of the candidate compounds, their
pharmacokinetics, or indeed their reactivity and stability
during their metabolic degradation. A number of methods
have contributed to quantitative metabolic prediction. The
quantitative-activity relationship (QSAR) of the
pharmacophore play an important part in finding the leads,
which exhibit the most potency, most selectivity, best
pharmacokinetics and least toxicity.
Development:
The final step involves the rendering the lead compounds
suitable for use in clinical trials. This involves the
optimization of the synthetic route for bulk production, and
the preparation of a suitable drug formulation.
天然药物中提炼有效成分
化工产品发展其药效
化学结构与药理的相互关系
药物与机体代谢的关系
抗代谢学说
抗生素抗癌药物的发展
以受体、酶等为作用靶点
计算机辅助药物设计