AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Prokineticin-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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct 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 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

Q9HC23

UPID:

PROK2_HUMAN

Alternative names:

Protein Bv8 homolog

Alternative UPACC:

Q9HC23; Q53Z79; Q6ISR0

Background:

Prokineticin-2, also known as Protein Bv8 homolog, plays a crucial role in transmitting behavioral circadian rhythms and may synchronize output within the suprachiasmatic nucleus (SCN). Its ability to potently contract gastrointestinal (GI) smooth muscle highlights its significance in physiological processes.

Therapeutic significance:

Prokineticin-2's involvement in Hypogonadotropic hypogonadism 4 with or without anosmia underscores its therapeutic potential. Understanding the role of Prokineticin-2 could open doors to potential therapeutic strategies for treating this disorder, which is characterized by absent or incomplete sexual maturation and is linked to a deficiency in gonadotropin-releasing hormone.

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