Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q9BZQ4

UPID:
NMNA2_HUMAN

ALTERNATIVE NAMES:
Nicotinamide mononucleotide adenylyltransferase 2; Nicotinate-nucleotide adenylyltransferase 2

ALTERNATIVE UPACC:
Q9BZQ4; O75067; Q5T1Q3; Q8WU99; Q96QW1

BACKGROUND:
The enzyme Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 2, alternatively named Nicotinate-nucleotide adenylyltransferase 2, is pivotal for axon survival, catalyzing the conversion of nicotinamide mononucleotide (NMN) to NAD(+). Its function extends to the maintenance of healthy axons by preventing Wallerian degeneration, a process critical for the loss of damaged axons.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 2 holds the promise of unveiling novel therapeutic avenues.

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