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.


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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised 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 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
O60333

UPID:
KIF1B_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
O60333; A6NFS8; A6NKQ4; Q4VXC3; Q4VXC4; Q4VXC5; Q4VXC6; Q96Q94; Q9BV80; Q9P280

BACKGROUND:
The Kinesin-like protein KIF1B, with the unique identifier O60333, is integral to the motor function for anterograde transport of mitochondria and synaptic vesicles, highlighting its significance in neuronal cell physiology. This protein's distinct isoforms facilitate the transport and apoptosis induction within neurons, underscoring its versatility and importance in cellular dynamics.

THERAPEUTIC SIGNIFICANCE:
Involvement of KIF1B in diseases such as Charcot-Marie-Tooth disease, axonal, 2A1, Neuroblastoma 1, and Pheochromocytoma underscores its potential as a target for therapeutic intervention. The association of KIF1B with these diseases suggests that further research into its functions could lead to novel treatments for these debilitating conditions.

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