AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Probable helicase senataxin

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our associate Reaxense.

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 sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Reaxense

upacc

Q7Z333

UPID:

SETX_HUMAN

Alternative names:

Amyotrophic lateral sclerosis 4 protein; SEN1 homolog; Senataxin

Alternative UPACC:

Q7Z333; A2A396; B2RPB2; B5ME16; C9JQ10; O75120; Q3KQX4; Q5JUJ1; Q68DW5; Q6AZD7; Q7Z3J6; Q8WX33; Q9H9D1; Q9NVP9

Background:

Senataxin, known as Probable helicase senataxin and alternatively named Amyotrophic lateral sclerosis 4 protein and SEN1 homolog, plays a pivotal role in RNA metabolism, genomic integrity, and transcription regulation. It is essential for mRNA splicing, R-loop RNA-DNA hybrid resolution, and DNA damage response. Senataxin's involvement in circadian rhythm regulation and neurite outgrowth underscores its multifaceted biological significance.

Therapeutic significance:

Senataxin is linked to Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy 2 (SCAN2) and Amyotrophic lateral sclerosis 4 (ALS4), diseases characterized by progressive neurodegeneration. Understanding Senataxin's role could pave the way for novel therapeutic strategies targeting these debilitating conditions.

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