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.


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 top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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
Receptor.AI
 
UPACC
P51843

UPID:
NR0B1_HUMAN

ALTERNATIVE NAMES:
DSS-AHC critical region on the X chromosome protein 1; Nuclear receptor DAX-1

ALTERNATIVE UPACC:
P51843; Q96F69

BACKGROUND:
The protein Nuclear receptor subfamily 0 group B member 1, with alternative names DSS-AHC critical region on the X chromosome protein 1 and Nuclear receptor DAX-1, is essential for the proper development of the adrenal and reproductive axes. It acts by inhibiting the transcriptional activities of other nuclear receptors and plays a role in embryogenesis and stem cell pluripotency.

THERAPEUTIC SIGNIFICANCE:
Mutations in NR0B1 are causative for disorders such as congenital adrenal hypoplasia and 46,XY sex reversal 2, highlighting its critical role in adrenal gland development and sexual differentiation. Targeting NR0B1 could offer therapeutic avenues for these genetic disorders.

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