AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for TAR DNA-binding protein 43

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 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.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Reaxense

upacc

Q13148

UPID:

TADBP_HUMAN

Alternative names:

-

Alternative UPACC:

Q13148; A4GUK4; A4GUK5; A4GUK6; B2R629; B4DJ45; E2PU12; Q53H27; Q6FI92; Q96DJ0

Background:

TAR DNA-binding protein 43 (TDP-43) plays a pivotal role in RNA biogenesis and processing, impacting neuronal survival and neurodegenerative disease-related proteins. It binds to GU-repeats in RNA, regulates splicing, mRNA stability, and mitochondrial transcript processing. TDP-43's involvement in stress response, muscle regeneration, and circadian rhythm maintenance underscores its biological significance.

Therapeutic significance:

Amyotrophic lateral sclerosis 10 (ALS10) is linked to TDP-43, where genetic variants trigger neurodegeneration through the cGAS-STING pathway. Understanding TDP-43's role could unveil new therapeutic strategies for ALS10, highlighting its potential in neurodegenerative disease treatment.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.