Focused On-demand Library for Homeobox protein Nkx-6.2

Focused On-demand Libraries - Receptor.AI Collaboration


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.


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


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create 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
Q9C056

UPID:
NKX62_HUMAN

ALTERNATIVE NAMES:
Homeobox protein NK-6 homolog B

ALTERNATIVE UPACC:
Q9C056; Q5JSF3

BACKGROUND:
The Homeobox protein Nkx-6.2, alternatively known as Homeobox protein NK-6 homolog B, is integral to the development and maintenance of the central nervous system's myelin sheaths. It functions as a transcription factor, selectively binding to the DNA sequence 5'-(A/T)TTAATGA-3' to modulate the expression of myelin basic protein (MBP) and proteolipid protein 1 (PLP1), essential components of the myelin structure.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Spastic ataxia 8, an autosomal recessive disorder marked by significant neurodegeneration and myelin loss, Homeobox protein Nkx-6.2 represents a promising target for therapeutic intervention. Exploring its function and regulatory mechanisms could lead to breakthroughs in treating or managing this and related neurological diseases.

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