Focused On-demand Library for Speckle-type POZ protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

O43791

UPID:

SPOP_HUMAN

Alternative names:

HIB homolog 1; Roadkill homolog 1

Alternative UPACC:

O43791; B2R6S3; D3DTW7; Q53HJ1

Background:

Speckle-type POZ protein, also known as HIB homolog 1 or Roadkill homolog 1, plays a crucial role in the ubiquitination and proteasomal degradation pathway. It forms part of a cullin-RING-based BCR (BTB-CUL3-RBX1) E3 ubiquitin-protein ligase complex, targeting proteins like BRMS1, DAXX, and GLI2 for degradation, while regulating others such as MACROH2A1 and BMI1 without leading to their degradation. This protein is also involved in inhibiting the transcriptional activation of insulin by promoting the degradation of PDX1/IPF1.

Therapeutic significance:

Speckle-type POZ protein is implicated in Nabais Sa-de Vries syndrome 1 and 2, disorders characterized by developmental delays, dysmorphic facial features, and other anomalies. Understanding the role of Speckle-type POZ protein could open doors to potential therapeutic strategies for these genetic disorders.