Focused On-demand Library for Myosin-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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9UKX2

UPID:

MYH2_HUMAN

Alternative names:

Myosin heavy chain 2; Myosin heavy chain 2a; Myosin heavy chain IIa; Myosin heavy chain, skeletal muscle, adult 2

Alternative UPACC:

Q9UKX2; A0AVL4; Q14322; Q16229; Q567P6; Q86T56

Background:

Myosin-2, also known as Myosin heavy chain 2, plays a pivotal role in muscle contraction and cytoskeleton organization. This protein, with its alternative names such as Myosin heavy chain 2a and Myosin heavy chain IIa, is essential for the proper functioning of skeletal muscles. Its unique structure facilitates the conversion of chemical energy into mechanical energy, leading to muscle contraction.

Therapeutic significance:

Myosin-2's involvement in Congenital myopathy 6 with ophthalmoplegia, a disorder characterized by muscle weakness and ophthalmoplegia, highlights its therapeutic significance. Understanding the role of Myosin-2 could open doors to potential therapeutic strategies for treating this muscular disorder, which shows non-progressive or very slowly progressive symptoms.