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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q9BY11

UPID:
PACN1_HUMAN

ALTERNATIVE NAMES:
Syndapin-1

ALTERNATIVE UPACC:
Q9BY11; Q9P2G8

BACKGROUND:
Syndapin-1, formally known as Protein kinase C and casein kinase substrate in neurons protein 1, is integral to cellular dynamics, affecting both microtubule and actin cytoskeletons. Its interaction with MAPT influences microtubule behavior, while its role in recruiting dynamin proteins DNM1, DNM2, and DNM3 is crucial for membrane-related transport processes. Syndapin-1's involvement in neuron morphogenesis and synaptic function, including vesicle endocytosis and neurotransmitter recycling, underscores its importance in neural communication.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Syndapin-1 offers a promising pathway to identifying novel therapeutic approaches.

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.