Biological properties of natural compounds predicted via PASS server.

NIAID Data Ecosystem2026-05-02 收录

数据链接：

https://figshare.com/articles/dataset/Biological_properties_of_natural_compounds_predicted_via_PASS_server_/28273155 数据链接链接失效反馈

官方服务：

资源简介：

Biological properties of natural compounds predicted via PASS server.

创建时间：

2025-01-24

DataSheet1_In silico Docking Analysis for Blocking JUNO‐IZUMO1 Interaction Identifies Two Small Molecules that Block in vitro Fertilization.docx

药物虚拟筛选

受精抑制剂开发

Combined hormone drugs are the basis for orally administered contraception. However, they are associated with severe side effects that are even more impactful for women in developing countries, where

NIAID Data Ecosystem110

In silico drug screen reveals potential competitive MTHFR inhibitors for clinical repurposing

药物重定位

药物虚拟筛选

MTHFR (Methylenetetrahydrofolate reductase) is a pivotal enzyme involved in one-carbon metabolism, which is critical for the proliferation of cancer cells. In line with this, published literature show

NIAID Data Ecosystem80

Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor through Virtual Screening.

药物虚拟筛选

前列腺癌靶向治疗

The androgen receptor (AR) is the best studied drug target for the treatment of prostate cancer. While there are a number of drugs that target the AR, they all work through the same mechanism of actio

NIAID Data Ecosystem10

Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure

药物虚拟筛选

糖苷酶抑制剂

The heme enzyme myeloperoxidase (MPO) participates in innate immune defense mechanism through formation of microbicidal reactive oxidants. However, evidence has emerged that MPO-derived oxidants contr

NIAID Data Ecosystem80

Dataset supporting MOLSMARTS: Benchmarking of a virtual Pharmacophore-based SMARTS Reaction Chemical Library

虚拟化学库生成与基准测试

药物虚拟筛选

1. Research introduction A pharmacophore-based SMARTS reaction-driven virtual chemical library (MOLSMARTS and atom base library generation (MOLHYBRID), which both can generate chemically valid, synthe

Mendeley Data50

Biological properties of natural compounds predicted via PASS server.

资源简介：

相关数据集