Focused On-demand Library for Speckle-type POZ protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.