Focused On-demand Library for Kinase D-interacting substrate of 220 kDa

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.

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.

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 top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

Q9ULH0

UPID:

KDIS_HUMAN

Alternative names:

Ankyrin repeat-rich membrane-spanning protein

Alternative UPACC:

Q9ULH0; A1L4N4; Q4VC08; Q6MZU2; Q9H889; Q9H9E4; Q9NT37; Q9UF42

Background:

The Kinase D-interacting substrate of 220 kDa, also known as an Ankyrin repeat-rich membrane-spanning protein, plays a pivotal role in neurotrophin signaling pathways. It promotes sustained MAP-kinase signaling, facilitates Rap1-dependent ERK activation, and is involved in neuronal outgrowth and regeneration. Its interaction with SNTA1 enhances JAK/STAT activation in response to EPHA4, underscoring its significance in postsynaptic signal transduction.

Therapeutic significance:

Given its involvement in diseases such as Spastic paraplegia, intellectual disability, nystagmus, and obesity, and Ventriculomegaly and arthrogryposis, understanding the role of the Kinase D-interacting substrate of 220 kDa could open doors to potential therapeutic strategies. Its regulatory role in apoptosis and neurotrophin-mediated neuronal pathways highlights its potential as a target in neurodegenerative diseases and developmental disorders.