Focused On-demand Library for Prelamin-A/C

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.