Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9UBR4
UPID:
LHX3_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UBR4; Q5TB39; Q5TB40; Q9NZB5; Q9P0I8; Q9P0I9
Background:
LIM/homeobox protein Lhx3, encoded by the gene with accession number Q9UBR4, functions as a transcription factor. It binds to a specific DNA sequence motif, modulating transcription of genes like CGA and CHX10, crucial for pituitary gland and nervous system development. It plays a pivotal role in the differentiation of specialized cells within these systems.
Therapeutic significance:
Given its critical role in pituitary hormone production, mutations affecting Lhx3 are linked to Combined Pituitary Hormone Deficiency, CPHD3. This condition underscores the protein's potential as a target for therapeutic intervention, aiming to restore hormone balance and alleviate the rigid cervical spine characteristic of CPHD3.