Focused On-demand Library for Structural maintenance of chromosomes protein 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9UQE7

UPID:

SMC3_HUMAN

Alternative names:

Basement membrane-associated chondroitin proteoglycan; Chondroitin sulfate proteoglycan 6; Chromosome-associated polypeptide

Alternative UPACC:

Q9UQE7; A8K156; O60464; Q5T482

Background:

Structural maintenance of chromosomes protein 3 (SMC3) is a central component of the cohesin complex, essential for chromosome cohesion during cell cycles. This protein plays a pivotal role in DNA replication, repair, mitosis, and chromosome movement. Known alternatively as Basement membrane-associated chondroitin proteoglycan, Chondroitin sulfate proteoglycan 6, and Chromosome-associated polypeptide, SMC3's multifunctionality is crucial for cellular integrity and division.

Therapeutic significance:

SMC3's mutation is linked to Cornelia de Lange syndrome 3, a developmental disorder affecting multiple systems with a spectrum of symptoms from facial dysmorphisms to cognitive retardation. Understanding the role of SMC3 could open doors to potential therapeutic strategies for this syndrome and related chromosomal cohesion disorders.