A pharmacophore of Ebola active compounds

NIAID Data Ecosystem2026-03-09 收录

埃博拉药物发现

药效团虚拟筛选

数据链接：

https://figshare.com/articles/dataset/A_pharmacophore_of_Ebola_active_compounds/1190796 数据链接链接失效反馈

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资源简介：

results from searching a set of over 2000 drugs from CDD with the pharmacophore for in vitro / in vivo Ebola active compounds

创建时间：

2014-10-02

Pharmacophore Modeling and Virtual Screening for the Discovery of New type 4 cAMP Phosphodiesterase (PDE4) Inhibitors

PDE4抑制剂

药效团虚拟筛选

Type 4 cAMP phosphodiesterase (PDE4) inhibitors show a broad spectrum of anti-inflammatory effects in almost all kinds of inflamed cells, by an increase in cAMP levels which is a pivotal second messen

Figshare2016-01-18 更新70

A pharmacophore of Ebola active compounds

埃博拉药物发现

药效团模型

results from searching a set of over 2000 drugs from CDD with the pharmacophore for in vitro / in vivo Ebola active compounds

Figshare2016-01-19 更新60

DataSheet1_Non-Extensive Fragmentation of Natural Products and Pharmacophore-Based Virtual Screening as a Practical Approach to Identify Novel Promising Chemical Scaffolds.docx

片段药物设计

药效团虚拟筛选

Fragment-based drug design (FBDD) and pharmacophore modeling have proven to be efficient tools to discover novel drugs. However, these approaches may become limited if the collection of fragments is h

NIAID Data Ecosystem30

Rational Design of New Class of BH3-Mimetics As Inhibitors of the Bcl-x L Protein

Bcl-xL抑制剂发现

药效团虚拟筛选

The Bcl-2 family of proteins plays an important role in the intrinsic pathway of cell apoptosis. Overexpression of pro-survival members of this family of proteins is often associated with the developm

NIAID Data Ecosystem70

PharmacoMatch: Efficient 3D Pharmacophore Screening via Neural Subgraph Matching - Preprocessed Data

药效团虚拟筛选

分子相互作用

This item contains the preprocessed data of the PharmacoMatch paper. Training data was downloaded from the ChEMBL database, while test sets are based on the DUD-E, DEKOIS2.0, and LIT-PCBA benchmark da

DataCite Commons2025-02-10 更新50

A pharmacophore of Ebola active compounds

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