AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for High affinity nerve growth factor receptor

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P04629

UPID:

NTRK1_HUMAN

Alternative names:

Neurotrophic tyrosine kinase receptor type 1; TRK1-transforming tyrosine kinase protein; Tropomyosin-related kinase A; Tyrosine kinase receptor; Tyrosine kinase receptor A; gp140trk; p140-TrkA

Alternative UPACC:

P04629; B2R6T5; B7ZM34; P08119; Q15655; Q15656; Q5D056; Q5VZS2; Q7Z5C3; Q9UIU7

Background:

The High affinity nerve growth factor receptor, also known as Neurotrophic tyrosine kinase receptor type 1 or TrkA, plays a pivotal role in the development and maturation of the central and peripheral nervous systems. It regulates proliferation, differentiation, and survival of neurons through high affinity binding to NGF. TrkA's activation involves dimerization, autophosphorylation, and recruitment of downstream effectors, driving cell survival and differentiation.

Therapeutic significance:

TrkA's involvement in congenital insensitivity to pain with anhidrosis highlights its therapeutic potential. Understanding TrkA's mechanisms could lead to treatments for this rare disorder by targeting the pathways that contribute to sensory neuropathy and anhidrosis, offering hope for affected individuals.

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