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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96DX7
UPID:
TRI44_HUMAN
Alternative names:
Protein DIPB
Alternative UPACC:
Q96DX7; D3DR14; Q96QY2; Q9UGK0
Background:
Tripartite motif-containing protein 44, also known as Protein DIPB, plays a crucial role in neuronal differentiation and maturation. It regulates TRIM17 activity and negatively controls PAX6 expression, highlighting its significance in cellular processes.
Therapeutic significance:
Given its involvement in Aniridia 3, a disorder characterized by iris hypoplasia and associated ocular conditions, understanding Tripartite motif-containing protein 44 could open doors to potential therapeutic strategies for this and related visual impairments.