Focused On-demand Library for Structural maintenance of chromosomes protein 6

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Q96SB8

UPID:

SMC6_HUMAN

Alternative names:

Alternative UPACC:

Q96SB8; A8K8Q6; D6W518; Q05BV4; Q9H0X3; Q9H6M0

Background:

Structural maintenance of chromosomes protein 6 (SMC6) is a core component of the SMC5-SMC6 complex, crucial for DNA double-strand break repair through homologous recombination. It facilitates the recruitment of the SMC1-SMC3 cohesin complex to double-strand breaks, aiding in sister chromatid homologous recombination. Additionally, SMC6 is vital for telomere maintenance in ALT cell lines and mediates the sumoylation of shelterin complex components, leading to their disassembly in ALT-associated PML bodies. It also plays a role in preventing the transcription of episomal DNA, such as viral genomes.

Therapeutic significance:

Understanding the role of Structural maintenance of chromosomes protein 6 could open doors to potential therapeutic strategies.