AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for AT-rich interactive domain-containing protein 1A

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

O14497

UPID:

ARI1A_HUMAN

Alternative names:

B120; BRG1-associated factor 250; BRG1-associated factor 250a; Osa homolog 1; SWI-like protein; SWI/SNF complex protein p270; SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1; hELD

Alternative UPACC:

O14497; D3DPL1; Q53FK9; Q5T0W1; Q5T0W2; Q5T0W3; Q8NFD6; Q96T89; Q9BY33; Q9HBJ5; Q9UPZ1

Background:

AT-rich interactive domain-containing protein 1A, also known as Osa homolog 1 or SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1, plays a pivotal role in transcriptional activation and repression through chromatin remodeling. It is a crucial component of SWI/SNF chromatin remodeling complexes, influencing DNA-nucleosome topology in an ATP-dependent manner. This protein is integral to the switch from proliferating neural stem/progenitor cells to postmitotic neurons during neural development.

Therapeutic significance:

Given its involvement in Coffin-Siris syndrome 2, characterized by intellectual disability and various malformations, understanding the role of AT-rich interactive domain-containing protein 1A could open doors to potential therapeutic strategies.

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