Focused On-demand Library for Neuronal migration protein doublecortin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Our top-notch dedicated system is used to design specialised 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

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.