Focused On-demand Library for Condensin-2 complex subunit G2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q86XI2

UPID:

CNDG2_HUMAN

Alternative names:

Chromosome-associated protein G2; Leucine zipper protein 5; Non-SMC condensin II complex subunit G2

Alternative UPACC:

Q86XI2; A4D228; Q7Z3J9; Q8WUG8; Q9BRX6; Q9H8S2; Q9H9K6

Background:

Condensin-2 complex subunit G2, also known as Chromosome-associated protein G2, Leucine zipper protein 5, and Non-SMC condensin II complex subunit G2, plays a pivotal role in mitotic chromosome architecture. It acts as a regulatory subunit of the condensin-2 complex, crucial for establishing the physical rigidity of the chromatid axis during cell division.

Therapeutic significance:

Linked to Khan-Khan-Katsanis syndrome, a neurodevelopmental disorder with wide-ranging congenital anomalies, the study of Condensin-2 complex subunit G2 offers a promising avenue for therapeutic intervention. Understanding its role could open doors to potential therapeutic strategies targeting the underlying genetic variants.