Focused On-demand Library for LIM/homeobox protein Lhx3

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.