Focused On-demand Library for Cohesin subunit SA-2

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.

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct 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 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

Q8N3U4

UPID:

STAG2_HUMAN

Alternative names:

SCC3 homolog 2; Stromal antigen 2

Alternative UPACC:

Q8N3U4; B1AMT5; D3DTF5; O00540; Q5JTI6; Q68DE9; Q9H1N8

Background:

Cohesin subunit SA-2, also known as SCC3 homolog 2 and Stromal antigen 2, plays a crucial role in chromosomal stability by ensuring the cohesion of sister chromatids after DNA replication. This protein is a key component of the cohesin complex, which forms a proteinaceous ring to trap sister chromatids, facilitating their proper segregation during cell division.

Therapeutic significance:

Mutations in Cohesin subunit SA-2 are linked to Mullegama-Klein-Martinez syndrome and Holoprosencephaly 13, X-linked, highlighting its significance in neurodevelopmental disorders. Understanding the role of Cohesin subunit SA-2 could open doors to potential therapeutic strategies for these conditions.