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.
Our high-tech, dedicated method is applied to construct targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P52954
UPID:
LBX1_HUMAN
Alternative names:
Ladybird homeobox protein homolog 1
Alternative UPACC:
P52954; B9EGA2; Q05BB2
Background:
Transcription factor LBX1, also known as Ladybird homeobox protein homolog 1, plays a crucial role in the development of GABAergic interneurons in the spinal cord and the migration and development of muscle precursor cells. This protein is essential for the formation of limb muscles, the diaphragm, and the hypoglossal cord.
Therapeutic significance:
LBX1's involvement in congenital central hypoventilation syndrome, specifically the neonatal form known as CCHS3, highlights its potential as a target for therapeutic intervention. Understanding the role of Transcription factor LBX1 could open doors to potential therapeutic strategies for respiratory insufficiency and related autonomic control disorders.