Focused On-demand Library for Prelamin-A/C

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

P02545

UPID:

LMNA_HUMAN

Alternative names:

Alternative UPACC:

P02545; B4DI32; D3DVB0; D6RAQ3; E7EUI9; P02546; Q5I6Y4; Q5I6Y6; Q5TCJ2; Q5TCJ3; Q6UYC3; Q969I8; Q96JA2

Background:

Prelamin-A/C, a critical component of the nuclear lamina, plays a pivotal role in maintaining nuclear structure, chromatin organization, and DNA repair. Its presence is crucial for the development of the peripheral nervous system, skeletal muscle, and bone formation, while also preventing fat infiltration in muscle and bone marrow.

Therapeutic significance:

Given its involvement in a range of diseases such as Emery-Dreifuss muscular dystrophy, cardiomyopathy, lipodystrophy, and Hutchinson-Gilford progeria syndrome, Prelamin-A/C represents a promising target for therapeutic intervention. Understanding its role could lead to breakthroughs in treating these debilitating conditions.