Focused On-demand Library for Paired amphipathic helix protein Sin3a

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.

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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96ST3

UPID:

SIN3A_HUMAN

Alternative names:

Histone deacetylase complex subunit Sin3a; Transcriptional corepressor Sin3a

Alternative UPACC:

Q96ST3; B2RNS5; Q8N8N4; Q8NC83; Q8WV18; Q96L98; Q9UFQ1

Background:

Paired amphipathic helix protein Sin3a, also known as Histone deacetylase complex subunit Sin3a and Transcriptional corepressor Sin3a, plays a pivotal role in transcriptional repression, circadian rhythm regulation, and neuronal differentiation. It functions by interacting with various proteins to repress MYC responsive genes, regulate cell cycle progression, and facilitate cortical neuron differentiation.

Therapeutic significance:

Sin3a's involvement in Witteveen-Kolk syndrome, characterized by developmental delay and intellectual disability, underscores its potential as a therapeutic target. Understanding the role of Sin3a could open doors to potential therapeutic strategies for managing this syndrome and possibly other related neurological disorders.