Focused On-demand Library for Leiomodin-2

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q6P5Q4

UPID:

LMOD2_HUMAN

Alternative names:

Cardiac leiomodin; Leiomodin

Alternative UPACC:

Q6P5Q4; A4D0W9; A4D0Y2; Q8WVJ8

Background:

Leiomodin-2, also known as Cardiac leiomodin, plays a pivotal role in heart muscle function. It mediates the nucleation of actin filaments, promoting actin polymerization, essential for normal sarcomere organization and heart function. This protein's involvement in regulating actin filament length underscores its significance in maintaining cardiac muscle structure and contractility.

Therapeutic significance:

Leiomodin-2's critical role in heart function is underscored by its association with Cardiomyopathy, dilated, 2G, a severe condition leading to early-onset heart failure. Understanding the role of Leiomodin-2 could open doors to potential therapeutic strategies for treating heart diseases, particularly those involving sarcomere organization and actin filament regulation.