AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Period circadian protein homolog 2

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 high-tech, dedicated method is applied to construct targeted 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O15055

UPID:

PER2_HUMAN

Alternative names:

Circadian clock protein PERIOD 2

Alternative UPACC:

O15055; A2I2P7; Q4ZG49; Q6DT41; Q9UQ45

Background:

Period circadian protein homolog 2, also known as Circadian clock protein PERIOD 2, plays a pivotal role in the circadian clock. This internal time-keeping system regulates physiological processes through 24-hour rhythms in gene expression, influencing metabolism, sleep, and other vital functions. It operates via a transcription/translation feedback loop, crucial for maintaining temporal homeostasis with the environment.

Therapeutic significance:

Linked to Advanced sleep phase syndrome, familial, 1, this protein's understanding could pave the way for innovative treatments. Its role in the circadian rhythm suggests potential therapeutic strategies for sleep disorders and related conditions.

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