AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Unconventional myosin-Ic

Available from Reaxense
Predicted by Alphafold

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 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.

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.

We employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O00159

UPID:

MYO1C_HUMAN

Alternative names:

Myosin I beta

Alternative UPACC:

O00159; Q4LE56; Q6NVJ7; Q86Y95

Background:

Unconventional myosin-Ic, also known as Myosin I beta, is a pivotal actin-based motor molecule with ATPase activity, playing a crucial role in intracellular movements. It is instrumental in glucose transporter recycling in response to insulin, facilitating the movement of GLUT4-containing vesicles to the plasma membrane. Additionally, it is a key component of the hair cell's adaptation-motor complex in the inner ear and is involved in the regulation of transcription and the facilitation of transcription through cooperation with the WICH chromatin-remodeling complex.

Therapeutic significance:

Understanding the role of Unconventional myosin-Ic could open doors to potential therapeutic strategies, particularly in the context of insulin response mechanisms and sensory cell function in the inner ear.

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