Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96J42
UPID:
TXD15_HUMAN
Alternative names:
-
Alternative UPACC:
Q96J42; D3DQA9; Q96MT2; Q9H639
Background:
Thioredoxin domain-containing protein 15 plays a pivotal role in ciliogenesis and acts as a positive regulator of ciliary hedgehog signaling. This protein's involvement in the formation and function of cilia underscores its significance in cellular processes.
Therapeutic significance:
Linked to Meckel syndrome 14, a disorder with renal cysts and developmental anomalies, understanding the role of Thioredoxin domain-containing protein 15 could open doors to potential therapeutic strategies.