AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Myosin-2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

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.

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