2. 一站式药筛
  3. 化合物库
  4. RNA 靶向化合物库
RNA 靶向化合物库 - RNA Binding Library

Cat. No.: HY-L917

RNA 在生命活动调控的各个方面发挥着重要作用。随着对疾病机制的深入研究，RNA 的表达、剪切、翻译、稳定性调控等过程已成为疾病干预的新型靶点。通过小分子药物调节这些过程，可以为代谢疾病、遗传疾病和肿瘤患者提供新的治疗模式。

MCE 计算团队收集了 PDB、R-BIND、ROBIN 和内部数据库中的已知 RNA 靶向小分子作为阳性数据集，并从 ROBIN 中收集了非靶向 RNA 的小分子作为阴性数据集。基于 GeminiMol 预训练模型，对这些分子进行编码，并通过 Mordred 计算了 1700+ 分子描述符作为模型的输入。接着用 13 个深度学习模型对这些数据进行学习，所有模型都取得了良好的训练结果，AUROC均超过0.75。选择分类效果最好的 Finetune 模型（AUROC值：0.82，预测准确率：0.76）对 HY-L901P 进行筛选。进一步基于StaR Rules（cLogP≥1.5，Molar Refractivity≥4，Relative Polar Surface Area≤0.3）进行再过滤，最终获得 5,000 个具有潜在 RNA 相互作用活性的小分子化合物。该库同时具备结构多样性，是 RNA 靶向药物开发的有利工具。

  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack
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Compound Screening Libraries

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MCE 顾客使用化合物库产品发表的文献

  • 生物活性
  • 产品详情

活性描述 & 特点

Biological Activity

•   A unique collection of 5,000 small molecule compounds with potential RNA interaction activity.

•   Screened by AI model which shows good classification performance with AUROC of 0.82 and a high accuracy with ACC of 0.76.

•   Compatible with “StaR rules”, with at least two of the following properties: cLogP≥1.5, Molar Refractivity≥4, Relative Polar Surface Area≤0.3.

•   Compounds were selected by dissimilarity search to provide a higher variety and broader chemical space coverage.

•   All compounds are available off the shelf.

•   LCMS or NMR validated to ensure high purity and quality.

产品详情

Product Details

Formulation:

5,000 small molecule compounds with potential RNA interaction activity. Powered by AI models (AUROC of 0.82 and high accuracy with ACC of 0.76).

Layout:

96-well storage tube or 96-well plate: 1st and 12th column are left empty.
384-well plate: the first two columns and the last two columns are left empty.
Compounds with different concentrations or dissolved in different solvents will be put on separate plates. This way of layout may increase the number of plates because there could be three solvents and three concentrations.
If you have other requirements, please let us know.

Container:

96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode.

Storage:

-80°C

Shipping:

Blue ice or dry ice

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  •  特定化合物
  •  化合物数量
  •  产品排布图
  •  浓度
  •  形式（固体或溶液）
  •  YES
联系专家定制
  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack
  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack

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    RNA Binding Library
    目录号：
    HY-L917
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