AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein polybromo-1

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 sreening 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 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

Q86U86

UPID:

PB1_HUMAN

Alternative names:

BRG1-associated factor 180; Polybromo-1D

Alternative UPACC:

Q86U86; A1L381; A1L382; A4FUJ7; Q1RMD1; Q1RMD2; Q96MS2; Q9H2T3; Q9H2T4; Q9H2T5; Q9H301; Q9H314

Background:

Protein polybromo-1, also known as BRG1-associated factor 180 and Polybromo-1D, plays a crucial role in chromatin remodeling, influencing transcriptional activation and repression of select genes. It is essential for the stability of the SWI/SNF chromatin remodeling complex SWI/SNF-B (PBAF) and acts as a negative regulator of cell proliferation.

Therapeutic significance:

Given its involvement in renal cell carcinoma, particularly through gene variants affecting its function, Protein polybromo-1 represents a promising target for therapeutic intervention in this heterogeneous group of carcinomas.

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