Focused On-demand Library for Ceroid-lipofuscinosis neuronal protein 5

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.


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

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 stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
O75503

UPID:
CLN5_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
O75503; B3KQK7

BACKGROUND:
The Ceroid-lipofuscinosis neuronal protein 5 plays a crucial role in the endosomal-lysosomal trafficking pathway, impacting the sorting and processing of lysosomal enzymes. Its function in controlling the recruitment of the retromer complex to endosomal membranes by regulating RAB7A activation is vital for cellular clearance processes.

THERAPEUTIC SIGNIFICANCE:
The association of Ceroid-lipofuscinosis neuronal protein 5 with neuronal ceroid lipofuscinosis type 5 highlights its therapeutic significance. By elucidating the protein's function and its involvement in lysosomal storage diseases, researchers can identify novel therapeutic targets, potentially leading to breakthrough treatments for these debilitating conditions.

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