小分子

小分子（英語：small molecule）是一個有機化學概念。一般將分子量小於900道爾頓的有機化合物分子稱為小分子^[1]。小分子的直徑以納米計。目前大部分藥物都是小分子類藥物，蛋白質、核酸等生物大分子的基本組成單位（如氨基酸、核糖核苷酸、脫氧核苷酸）也是小分子。

小分子藥物一般是抑制劑，通過干擾蛋白間相互作用起效^[2]。

藥理學

目前大部分的藥物都是小分子藥物^[3] 。小分子的分子量上限一般設在900道爾頓。這是因為900道爾頓以下的分子在人體內能較快速地擴散進入細胞，到達作用靶點^[1]^[4]。根據里賓斯基五規則，口服給藥的小分子藥物的分子量最好能低於500道爾頓，否則損耗率會出現明顯上升^[5]^[6]。

參見

參考資料

↑ ^1.0 ^1.1 Macielag MJ. Chemical properties of antibacterials and their uniqueness. Dougherty TJ, Pucci MJ (編). Antibiotic Discovery and Development. 2012: 801–2. ISBN 978-1-4614-1400-1. The majority of [oral] drugs from the general reference set have molecular weights below 550. In contrast the molecular-weight distribution of oral antibacterial agents is bimodal: 340–450 Da but with another group in the 700–900 molecular weight range.
↑ Arkin MR, Wells JA. Small-molecule inhibitors of protein-protein interactions: progressing towards the dream. Nature Reviews Drug Discovery. April 2004, 3 (4): 301–17. PMID 15060526. doi:10.1038/nrd1343.
↑ Samanen J. Chapter 5.2 How do SMDs differ from biomolecular drugs?. Ganellin CR, Jefferis R, Roberts SM (編). Introduction to Biological and Small Molecule Drug Research and Development: theory and case studies Kindle. New York: Academic Press. 2013: 161–203. ISBN 978-0-12-397176-0. doi:10.1016/B978-0-12-397176-0.00005-4. Table 5.13: Route of Administration: Small Molecules: oral administration usually possible; Biomolecules: Usually administered parenterally
↑ Veber DF, Johnson SR, Cheng HY, Smith BR, Ward KW, Kopple KD. Molecular properties that influence the oral bioavailability of drug candidates. J. Med. Chem. 2002, 45 (12): 2615–23. PMID 12036371. doi:10.1021/jm020017n.
↑ Lipinski CA. Lead-and drug-like compounds: the rule-of-five revolution. Drug Discovery Today: Technologies. 2004, 1 (4): 337–341. PMID 24981612. doi:10.1016/j.ddtec.2004.11.007.
↑ Leeson PD, Springthorpe B. The influence of drug-like concepts on decision-making in medicinal chemistry. Nature Reviews Drug Discovery. 2007, 6 (11): 881–90. PMID 17971784. doi:10.1038/nrd2445.

[Dougherty_Pucci_2012-1] 1.0 ^1.1 Macielag MJ. Chemical properties of antibacterials and their uniqueness. Dougherty TJ, Pucci MJ (編). Antibiotic Discovery and Development. 2012: 801–2. ISBN 978-1-4614-1400-1. The majority of [oral] drugs from the general reference set have molecular weights below 550. In contrast the molecular-weight distribution of oral antibacterial agents is bimodal: 340–450 Da but with another group in the 700–900 molecular weight range.

[pmid15060526-2] Arkin MR, Wells JA. Small-molecule inhibitors of protein-protein interactions: progressing towards the dream. Nature Reviews Drug Discovery. April 2004, 3 (4): 301–17. PMID 15060526. doi:10.1038/nrd1343.

[Ganellin_2013-3] Samanen J. Chapter 5.2 How do SMDs differ from biomolecular drugs?. Ganellin CR, Jefferis R, Roberts SM (編). Introduction to Biological and Small Molecule Drug Research and Development: theory and case studies Kindle. New York: Academic Press. 2013: 161–203. ISBN 978-0-12-397176-0. doi:10.1016/B978-0-12-397176-0.00005-4. Table 5.13: Route of Administration: Small Molecules: oral administration usually possible; Biomolecules: Usually administered parenterally

[pmid12036371-4] Veber DF, Johnson SR, Cheng HY, Smith BR, Ward KW, Kopple KD. Molecular properties that influence the oral bioavailability of drug candidates. J. Med. Chem. 2002, 45 (12): 2615–23. PMID 12036371. doi:10.1021/jm020017n.

[5] Lipinski CA. Lead-and drug-like compounds: the rule-of-five revolution. Drug Discovery Today: Technologies. 2004, 1 (4): 337–341. PMID 24981612. doi:10.1016/j.ddtec.2004.11.007.

[pmid17971784-6] Leeson PD, Springthorpe B. The influence of drug-like concepts on decision-making in medicinal chemistry. Nature Reviews Drug Discovery. 2007, 6 (11): 881–90. PMID 17971784. doi:10.1038/nrd2445.

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