Focused On-demand Library for NAD(+) hydrolase SARM1

Details

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.


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.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our high-tech, dedicated method is applied to construct 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
Q6SZW1

UPID:
SARM1_HUMAN

ALTERNATIVE NAMES:
NADP(+) hydrolase SARM1; Sterile alpha and Armadillo repeat protein; Sterile alpha and TIR motif-containing protein 1; Sterile alpha motif domain-containing protein 2; Tir-1 homolog

ALTERNATIVE UPACC:
Q6SZW1; O60277; Q7LGG3; Q9NXY5

BACKGROUND:
The protein NAD(+) hydrolase SARM1, with alternative names such as NADP(+) hydrolase SARM1 and Sterile alpha motif domain-containing protein 2, is crucial for NAD(+) metabolism and axonal degeneration. It facilitates Wallerian degeneration through NAD(+) cleavage, promoting axon destruction post-injury. Additionally, it can hydrolyze NADP(+) and is involved in stress-induced neuronal cell death.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of NAD(+) hydrolase SARM1 offers a promising avenue for developing therapeutic interventions. Its key role in regulating neuronal survival and axonal integrity positions it as a potential target in treating neurodegenerative conditions and enhancing nerve injury recovery.

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