Focused On-demand Libraries - Receptor.AI 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.


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 Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
P43246

UPID:
MSH2_HUMAN

ALTERNATIVE NAMES:
MutS protein homolog 2

ALTERNATIVE UPACC:
P43246; B4E2Z2; O75488

BACKGROUND:
The DNA mismatch repair protein Msh2, or MutS protein homolog 2, is essential for the integrity of the genome. It forms part of the MMR system, creating complexes that detect and repair mismatches in DNA, thus preventing mutations that could lead to cancer. Its functions include DNA helix bending, mismatch recognition, and recruitment of repair proteins, highlighting its importance in cellular repair mechanisms.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in preventing mutations that lead to cancer, DNA mismatch repair protein Msh2 is closely associated with diseases like Lynch syndrome, Muir-Torre syndrome, and colorectal cancer. Targeting the pathways involving Msh2 offers promising avenues for developing treatments for these conditions, underscoring the therapeutic significance of this protein in cancer biology.

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