Focused On-demand Library for Myosin-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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

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.

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

P12882

UPID:

MYH1_HUMAN

Alternative names:

Myosin heavy chain 1; Myosin heavy chain 2x; Myosin heavy chain IIx/d; Myosin heavy chain, skeletal muscle, adult 1

Alternative UPACC:

P12882; Q14CA4; Q9Y622

Background:

Myosin-1, also known as Myosin heavy chain 1, plays a pivotal role in muscle contraction. This protein, with alternative names such as Myosin heavy chain 2x and Myosin heavy chain IIx/d, is essential for the movement and strength of skeletal muscles. Its unique structure and function facilitate the conversion of chemical energy into mechanical force, enabling muscle fibers to contract.

Therapeutic significance:

Understanding the role of Myosin-1 could open doors to potential therapeutic strategies. Its critical function in muscle contraction positions it as a key target for interventions aimed at treating muscle-related disorders. Exploring Myosin-1's mechanisms offers promising avenues for developing novel treatments that could enhance muscle function and address muscular diseases.