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.
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.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P20585
UPID:
MSH3_HUMAN
Alternative names:
Divergent upstream protein; Mismatch repair protein 1
Alternative UPACC:
P20585; A1L480; A1L482; A6NMM6; Q6PJT5; Q86UQ6; Q92867
Background:
DNA mismatch repair protein Msh3, also known as Divergent upstream protein and Mismatch repair protein 1, plays a crucial role in the post-replicative DNA mismatch repair system (MMR). It forms a heterodimer with MSH2, creating MutS beta, which identifies and initiates repair of DNA mismatches. This complex can recognize and bind to insertion-deletion loops up to 13 nucleotides long, significantly influencing DNA integrity.
Therapeutic significance:
Given its pivotal role in DNA repair, Msh3 is closely associated with diseases such as Endometrial cancer and Familial adenomatous polyposis 4. These associations highlight the protein's potential as a target for therapeutic intervention, aiming to enhance DNA repair mechanisms or mitigate the protein's malfunction in disease contexts.