Focused On-demand Library for Leiomodin-2

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 screening 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
Receptor.AI
 
UPACC
Q6P5Q4

UPID:
LMOD2_HUMAN

ALTERNATIVE NAMES:
Cardiac leiomodin; Leiomodin

ALTERNATIVE UPACC:
Q6P5Q4; A4D0W9; A4D0Y2; Q8WVJ8

BACKGROUND:
Leiomodin-2, alternatively known as Cardiac leiomodin, is integral to cardiac muscle performance, facilitating actin polymerization and sarcomere organization. Its function in actin filament nucleation and length regulation is crucial for the heart's systolic function, highlighting its importance in cardiovascular health.

THERAPEUTIC SIGNIFICANCE:
The association of Leiomodin-2 with dilated Cardiomyopathy, 2G, a disorder characterized by ventricular dilation and impaired systolic function, emphasizes its therapeutic potential. Targeting Leiomodin-2 could lead to innovative treatments for cardiomyopathies, leveraging its role in actin filament dynamics and sarcomere structure.

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