Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


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
Q8NFP7

UPID:
NUD10_HUMAN

ALTERNATIVE NAMES:
Diadenosine 5',5'''-P1,P6-hexaphosphate hydrolase 3-alpha; Diadenosine hexaphosphate hydrolase (AMP-forming); Nucleoside diphosphate-linked moiety X motif 10; hAps2

ALTERNATIVE UPACC:
Q8NFP7; A8K7D7; D3DX69; Q86VK1; Q86VR0

BACKGROUND:
The enzyme Diphosphoinositol polyphosphate phosphohydrolase 3-alpha, known alternatively as Nucleoside diphosphate-linked moiety X motif 10, is pivotal in biochemical pathways, including signal transduction. It specializes in the hydrolysis of PP-InsP5, Ap6A, and Ap5A, yielding critical molecules like ADP, ATP, and p4a, indicating its significant biochemical versatility.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Diphosphoinositol polyphosphate phosphohydrolase 3-alpha unveils new avenues for drug discovery and therapeutic interventions.

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