An Updated Review on Marine Anticancer Compounds: The Use of Virtual Screening for the Discovery of Small-Molecule Cancer Drugs.
An Updated Review on Marine Anticancer Compounds: The Use of Virtual Screening for the Discovery of Small-Molecule Cancer Drugs.
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DOI：
10.3390/molecules22071037
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发表时间：
2017-06-23
期刊：
影响因子：
--
通讯作者：
Micol V
中科院分区：
文献类型：
--
作者：
Ruiz-Torres V;Encinar JA;Herranz-López M;Pérez-Sánchez A;Galiano V;Barrajón-Catalán E;Micol V
海洋次级代谢产物是一种具有广泛结构多样性和多种生物活性的潜在药物来源。这些化合物是针对海洋环境中的恶劣和竞争条件而产生的。无脊椎动物被认为是生物多样性最丰富的群体之一。迄今为止，大量的海洋天然产物（MNP）已被确定为抗肿瘤药物。本综述概述了处于研究或临床阶段的MNP，这些MNP来自过去十七年（从2000年1月到2017年4月）中被报道在癌症治疗中具有活性或潜在活性的不同生物体，并描述了它们的推定作用机制。MNP的结构多样性也被强调，并与临床使用的小分子抗癌药物进行了比较。此外，本综述还研究了基于MNP的药物发现的虚拟筛选的使用，并揭示了基于ADMET（吸收、分布、代谢、排泄和毒性）过滤的候选药物选择的经典方法可能会错过潜在的抗癌先导化合物。最后，我们介绍了一种新的和化学可访问的MNP虚拟筛选的化学库。
Marine secondary metabolites are a promising source of unexploited drugs that have a wide structural diversity and have shown a variety of biological activities. These compounds are produced in response to the harsh and competitive conditions that occur in the marine environment. Invertebrates are considered to be among the groups with the richest biodiversity. To date, a significant number of marine natural products (MNPs) have been established as antineoplastic drugs. This review gives an overview of MNPs, both in research or clinical stages, from diverse organisms that were reported as being active or potentially active in cancer treatment in the past seventeen years (from January 2000 until April 2017) and describes their putative mechanisms of action. The structural diversity of MNPs is also highlighted and compared with the small-molecule anticancer drugs in clinical use. In addition, this review examines the use of virtual screening for MNP-based drug discovery and reveals that classical approaches for the selection of drug candidates based on ADMET (absorption, distribution, metabolism, excretion, and toxicity) filtering may miss potential anticancer lead compounds. Finally, we introduce a novel and publically accessible chemical library of MNPs for virtual screening purposes.
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影响因子：
8.8
作者：
Akashi, Y.;Oda, T.;Ohara, Y.;Miyamoto, R.;Kurokawa, T.;Hashimoto, S.;Enomoto, T.;Yamada, K.;Satake, M.;Ohkohchi, N.
通讯作者：
Ohkohchi, N.
影响因子：
2.8
作者：
Barbieri F;Thellung S;Würth R;Gatto F;Corsaro A;Villa V;Nizzari M;Albertelli M;Ferone D;Florio T
通讯作者：
Florio T
影响因子：
5
作者：
Al Marzouqi, Nadia;Iratni, Rabah;Attoub, Samir
通讯作者：
Attoub, Samir
DOI：
10.1016/b978-0-444-62649-3.00009-0
发表时间：
2015-01-01
期刊：
MEDICINAL CHEMISTRY OF ANTICANCER DRUGS, 2ND EDITION
影响因子：
--
作者：
Avendano, Carmen;Carlos Menendez, J.
通讯作者：
Carlos Menendez, J.
影响因子：
5.8
作者：
BAI, R;PETTIT, GR;HAMEL, E
通讯作者：
HAMEL, E