AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DNA-binding protein SATB2

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.

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.

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 top-notch dedicated system is used to design specialised 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9UPW6

UPID:

SATB2_HUMAN

Alternative names:

Special AT-rich sequence-binding protein 2

Alternative UPACC:

Q9UPW6; A8K5Z8; Q3ZB87; Q4V763

Background:

DNA-binding protein SATB2, also known as Special AT-rich sequence-binding protein 2, plays a pivotal role in DNA recognition and transcription regulation. It binds to DNA at nuclear matrix- or scaffold-associated regions, recognizing the sugar-phosphate structure of double-stranded DNA. SATB2 is crucial for chromatin-loop remodeling, acting as a docking site for chromatin remodeling enzymes and influencing gene expression by recruiting corepressors or coactivators directly to promoters and enhancers.

Therapeutic significance:

SATB2's involvement in cleft palate isolated, a congenital fissure of the soft and/or hard palate, underscores its therapeutic significance. Understanding the role of SATB2 could open doors to potential therapeutic strategies for not only cleft palate but also other craniofacial dysmorphic features, intellectual disability, and osteoporosis linked to its dysfunction.

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