AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Multiple C2 and transmembrane domain-containing protein 1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create 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.

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

Q6DN14

UPID:

MCTP1_HUMAN

Alternative names:

-

Alternative UPACC:

Q6DN14; Q6DN13; Q8N2W1; Q8NBA2; Q96LX0; Q9H6E8

Background:

The Multiple C2 and transmembrane domain-containing protein 1, identified by the accession number Q6DN14, plays a pivotal role as a calcium sensor. It is essential for stabilizing normal baseline neurotransmitter release and is crucial for both the induction and long-term maintenance of presynaptic homeostatic plasticity. This protein's unique ability to sense calcium levels makes it a key player in neuronal communication and plasticity.

Therapeutic significance:

Understanding the role of Multiple C2 and transmembrane domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in neurotransmitter release and presynaptic plasticity highlights its potential as a target in neurological disorders where these processes are disrupted.

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