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- MedChemExpress(MCE)
- 美国
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- 2025年12月05日
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Nucleotide Compound Library
MCE 国际站：Nucleotide Compound Library
Nucleoside and nucleotide analogues are synthetic, chemically modified compounds that have been developed to mimic their physiological counterparts in order to exploit cellular metabolism and subsequently be incorporated into DNA and RNA to inhibit cellular division and viral replication. In addition to their incorporation into nucleic acids, nucleoside and nucleotide analogues can interact with and inhibit essential enzymes such as human and viral polymerases (that is, DNA-dependent DNA polymerases, RNA-dependent DNA polymerases or RNA-dependent RNA polymerases), kinases, ribonucleotide reductase, DNA methyltransferases, purine and pyrimidine nucleoside phosphorylase and thymidylate synthase. These actions of nucleoside and nucleotide analogues have potential therapeutic benefits — for example, in the inhibition of cancer cell growth, the inhibition of viral replication as well as other indications.MCE offers a unique collection of 471 nucleotide compounds including nucleotide, nucleoside and their structural analogues. MCE Nucleotide Compound Library is a useful tool to discover anti-cancer and antiviral drugs for high throughput screening (HTS) and high content screening (HCS).
Description & Advantages:
• A unique collection of 471 nucleotide/nucleoside and nucleotide/nucleoside analogue compounds.
• A useful tool for the discovery of nucleotide drugs.
• Nucleotide, nucleoside and their structural analogues are included.
• More detailed compound information with structure, IC50, and other chemical & biological data.
• NMR and HPLC validated ensure high purity.
• All compounds are in stock and continuously updated.
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文献和实验，根据分子足迹分析，C 链残基 I619 -I626 与五螺旋区域有着最为紧密的联系，并将 I619 -I626 作为参考配体。A 图：GP41 的 CHR 多肽区域与 GP2 五螺旋束之间的静电与范德华力的分子足迹（footprint profiles）分析B 图：靶点蛋白的关键性作用残基3. 分子库准备来自于 ZINC 上面的 170 万个的一个类药化合物库。作者根据分子的旋转键将这个化合物库分为了 42 个小类，每个最多 50000 个分子。4. 对接对接程序使用的使 MPI 版本的 DOCK
-alkyltransferase抑制剂，IC50为5 nM。SGI-1027：SGI-1027是一种DNMT抑制剂，作用于DNMT1， DNMT3A和DNMT3B，IC50分别为6， 8和7.5 μM。Azacitidine：Azacitidine 是胞苷的核苷类似物，通过捕获DNA甲基，特异性抑制DNA methylation(DNA甲基化)。
3.能否介绍一下空间代谢组所用的自建数据库？ 空间代谢组与常规代谢组对于代谢物的定性需要通过与数据库匹配来获得定性信息。鹿明生物拥有 2 个空间代谢组自建库，包含胆碱类、多胺类、氨基酸类、肉碱类、核苷类、核苷酸类、有机酸类、碳水化合物类、胆固醇类、胆酸类、脂质类等多个种类代谢物； 另一个专门针对植物的空间代谢自建库，目前拥有涵盖生物碱类、酚酸类、黄酮类、香豆素类、苯丙素类、木脂素、萜类等 10 大类代谢物。 数据库的建设经过文献、公共数据库、标准品、人工校对等去增加定性的可靠性。 4.空间代谢
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