Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
O43715
UPID:
TRIA1_HUMAN
Alternative names:
Protein 15E1.1; WF-1; p53-inducible cell-survival factor
Alternative UPACC:
O43715; B2R4Z7; Q5RKS5; Q6LCA7
Background:
TP53-regulated inhibitor of apoptosis 1 (TRIAP1), also known as Protein 15E1.1, WF-1, or p53-inducible cell-survival factor, plays a crucial role in mitochondrial apoptotic pathway modulation. It ensures the accumulation of cardiolipin in mitochondrial membranes, vital for cell survival. The TRIAP1:PRELID1 and TRIAP1:PRELID3A complexes are instrumental in transferring phosphatidic acid across the mitochondrion intermembrane space, facilitating cardiolipin synthesis.
Therapeutic significance:
Understanding the role of TP53-regulated inhibitor of apoptosis 1 could open doors to potential therapeutic strategies.