Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q5T7W7
UPID:
TSTD2_HUMAN
Alternative names:
Rhodanese domain-containing protein 2
Alternative UPACC:
Q5T7W7; A6NMJ4; A8K584; Q6ZQZ6; Q8IYM3; Q8WY73; Q96ML6; Q96MU1
Background:
Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 2, also known as Rhodanese domain-containing protein 2, plays a crucial role in sulfur metabolism. This protein is pivotal in catalyzing the transfer of sulfur atoms in various biological processes, thereby influencing cellular function and homeostasis.
Therapeutic significance:
Understanding the role of Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 2 could open doors to potential therapeutic strategies. Its involvement in sulfur metabolism suggests its potential impact on diseases where sulfur transfer is disrupted.