Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


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


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening 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:


  • 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
Q5JTV8

UPID:
TOIP1_HUMAN

ALTERNATIVE NAMES:
Lamin-associated protein 1B

ALTERNATIVE UPACC:
Q5JTV8; A0A0A0MSK5; A8K630; B0QZ57; Q5JTV6; Q8IZ65; Q9H8Y6; Q9HAJ1; Q9NV52; Q9Y3X5

BACKGROUND:
Torsin-1A-interacting protein 1, identified by its alternative name Lamin-associated protein 1B, is essential for nuclear membrane integrity and the assembly of the nuclear lamina. It facilitates the ATPase activity of TOR1A and TOR1B, ensuring their proper placement on the nuclear membrane, and binds to lamins.

THERAPEUTIC SIGNIFICANCE:
Linked to a severe myopathy characterized by early-onset muscle weakness and joint contractures, Torsin-1A-interacting protein 1's dysfunction highlights its potential as a therapeutic target. Exploring its function could lead to novel treatments for related muscular and skeletal disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.