Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q92988

UPID:
DLX4_HUMAN

ALTERNATIVE NAMES:
Beta protein 1; Homeobox protein DLX-7; Homeobox protein DLX-8

ALTERNATIVE UPACC:
Q92988; D3DTX2; D3DTX3; O60480; Q13265; Q6PJK0; Q9HBE0

BACKGROUND:
The Homeobox protein DLX-4, with alternative names Beta protein 1, Homeobox protein DLX-7, and DLX-8, is essential for proper embryonic development, including the formation of the palate. It may also influence hemoglobin S production and function as a repressor. Its role in developmental pathways suggests a significant impact on cellular and tissue architecture.

THERAPEUTIC SIGNIFICANCE:
Linked to Non-syndromic orofacial cleft 15, a birth defect involving cleft lips and potentially cleft palate, Homeobox protein DLX-4 represents a critical gene for further research in genetic disorders. Exploring the functions of Homeobox protein DLX-4 could lead to innovative treatments for orofacial clefts and related developmental anomalies.

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