Focused On-demand Library for Nesprin-4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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

Q8N205

UPID:

SYNE4_HUMAN

Alternative names:

KASH domain-containing protein 4; Nuclear envelope spectrin repeat protein 4

Alternative UPACC:

Q8N205; A8MRS0; A8MYE3; Q7Z7L3

Background:

Nesprin-4, known for its alternative names such as KASH domain-containing protein 4 and Nuclear envelope spectrin repeat protein 4, plays a crucial role in the LINC complex. This complex is essential for linking the nuclear lamina to the cytoskeleton, facilitating the transmission of mechanical forces and contributing to nuclear positioning and movement. Nesprin-4 acts as a cargo for kinesin-1, aiding in the apical migration of the centrosome and Golgi apparatus, and ensuring the basal localization of the nucleus.

Therapeutic significance:

Nesprin-4's involvement in Deafness, autosomal recessive, 76, highlights its potential as a target for therapeutic intervention. Understanding the role of Nesprin-4 could open doors to potential therapeutic strategies for treating sensorineural deafness by targeting the underlying genetic variants.