Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 screening 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.


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
Q13421

UPID:
MSLN_HUMAN

ALTERNATIVE NAMES:
CAK1 antigen; Pre-pro-megakaryocyte-potentiating factor

ALTERNATIVE UPACC:
Q13421; D3DU65; Q14859; Q4VQD5; Q96GR6; Q96KJ5; Q9BR17; Q9BTR2; Q9UCB2; Q9UK57

BACKGROUND:
The protein Mesothelin, also known as CAK1 antigen and Pre-pro-megakaryocyte-potentiating factor, is integral to cellular adhesion and megakaryocyte development. Its membrane-anchored forms contribute to cellular adhesion, while its role as a Megakaryocyte-potentiating factor (MPF) potentiates megakaryocyte colony formation, a critical process in vitro.

THERAPEUTIC SIGNIFICANCE:
The exploration of Mesothelin's functions offers a promising avenue for the development of novel therapeutic strategies. Its critical roles in cellular adhesion and megakaryocyte colony formation present it as an intriguing target for drug discovery and therapeutic research.

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