AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Paired amphipathic helix protein Sin3b

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

O75182

UPID:

SIN3B_HUMAN

Alternative names:

Histone deacetylase complex subunit Sin3b; Transcriptional corepressor Sin3b

Alternative UPACC:

O75182; Q2NL91; Q68GC2; Q6P4B8; Q8TB34; Q9BSC8

Background:

Paired amphipathic helix protein Sin3b, also known as Histone deacetylase complex subunit Sin3b and Transcriptional corepressor Sin3b, plays a crucial role in transcriptional repression. It forms complexes with MXI1, MAD-MAX heterodimers, and FOXK1 to regulate MYC responsive genes, antagonize MYC oncogenic activities, and control cell cycle progression by repressing cell cycle inhibitor genes expression.

Therapeutic significance:

Understanding the role of Paired amphipathic helix protein Sin3b could open doors to potential therapeutic strategies.

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