Focused On-demand Library for Homeobox protein Nkx-6.2

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9C056

UPID:

NKX62_HUMAN

Alternative names:

Homeobox protein NK-6 homolog B

Alternative UPACC:

Q9C056; Q5JSF3

Background:

Homeobox protein Nkx-6.2, also known as Homeobox protein NK-6 homolog B, plays a pivotal role in the regulation of axon-glial interactions at myelin paranodes in oligodendrocytes. It achieves this through its transcription factor activity with repressor functions, binding to specific DNA sequences to regulate the expression of genes like MBP and PLP1, which are crucial for myelin sheath formation.

Therapeutic significance:

The protein's involvement in Spastic ataxia 8, an autosomal recessive neurodegenerative disorder characterized by early-onset hypotonia, cerebellar atrophy, and hypomyelinating leukodystrophy, underscores its therapeutic significance. Understanding the role of Homeobox protein Nkx-6.2 could open doors to potential therapeutic strategies for this debilitating condition.