Focused On-demand Library for Neuronal migration protein doublecortin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

We use our state-of-the-art dedicated workflow for designing focused 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

O43602

UPID:

DCX_HUMAN

Alternative names:

Doublin; Lissencephalin-X

Alternative UPACC:

O43602; A6NFY6; A9Z1V8; D3DUY8; D3DUY9; D3DUZ0; O43911; Q5JYZ5

Background:

Neuronal migration protein doublecortin, also known as Doublin or Lissencephalin-X, plays a pivotal role in the development of the cerebral cortex. It is a microtubule-associated protein essential for the initial steps of neuronal dispersion and cortex lamination, facilitating neuronal interaction and migration through a potential calcium ion-dependent signal transduction pathway.

Therapeutic significance:

Linked to severe neurological disorders such as Lissencephaly, X-linked 1, and Subcortical band heterotopia X-linked, understanding the role of Neuronal migration protein doublecortin could open doors to potential therapeutic strategies. These conditions underscore the protein's critical function in brain development and highlight the therapeutic potential in targeting its pathway.