Focused On-demand Library for DNA mismatch repair protein Msh6

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P52701

UPID:

MSH6_HUMAN

Alternative names:

G/T mismatch-binding protein; MutS protein homolog 6; MutS-alpha 160 kDa subunit

Alternative UPACC:

P52701; B4DF41; B4E3I4; F5H2F9; O43706; O43917; Q8TCX4; Q9BTB5

Background:

DNA mismatch repair protein Msh6, also known as G/T mismatch-binding protein, plays a crucial role in the post-replicative DNA mismatch repair system (MMR). It forms a heterodimer with MSH2 to create MutS alpha, which identifies and initiates repair of DNA mismatches. This protein is essential for maintaining genomic stability by recognizing and repairing base mismatches and insertion-deletion loops, thereby preventing mutations that could lead to cancer.

Therapeutic significance:

Msh6 is directly linked to Lynch syndrome 5, endometrial cancer, mismatch repair cancer syndrome 3, and colorectal cancer. Its pivotal role in DNA repair pathways makes it a significant target for therapeutic strategies aimed at enhancing DNA repair mechanisms in cancer predisposition syndromes. Understanding the function of Msh6 could lead to breakthroughs in cancer treatment and prevention.