Focused On-demand Library for Growth/differentiation factor 8

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

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

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O14793

UPID:

GDF8_HUMAN

Alternative names:

Myostatin

Alternative UPACC:

O14793; A1C2J7; A1C2K0; Q6B0H2

Background:

Growth/differentiation factor 8, commonly known as Myostatin, plays a pivotal role in skeletal muscle physiology. This protein acts as a negative regulator, ensuring that muscle growth does not exceed physiological needs. The presence of Myostatin in the body's system is crucial for maintaining muscle size and function, highlighting its significance in muscle development and maintenance.

Therapeutic significance:

Muscle hypertrophy, a condition marked by increased muscle bulk and strength, is directly associated with variants affecting the Myostatin gene. This link underscores the protein's potential as a target for therapeutic interventions aimed at treating muscle-related disorders. By modulating Myostatin activity, it may be possible to develop treatments that enhance muscle growth in conditions where muscle strength and bulk are compromised.