AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Adenylate cyclase type 10

Available from Reaxense
Predicted by Alphafold

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Q96PN6

UPID:

ADCYA_HUMAN

Alternative names:

AH-related protein; Adenylate cyclase homolog; Germ cell soluble adenylyl cyclase; Testicular soluble adenylyl cyclase

Alternative UPACC:

Q96PN6; B4DZF0; F5GWS5; O95558; Q5R329; Q5R330; Q8WXV4; Q9NNX0

Background:

Adenylate cyclase type 10, also known as AH-related protein, plays a pivotal role in cellular signaling by catalyzing the formation of cAMP, a crucial signaling molecule. This enzyme is instrumental in various physiological processes, including mammalian spermatogenesis, where it regulates nuclear factors essential for sperm maturation. Additionally, it is involved in ciliary beat regulation, highlighting its diverse functional significance in human biology.

Therapeutic significance:

Hypercalciuria absorptive 2, a condition marked by excessive urinary calcium excretion leading to calcium oxalate nephrolithiasis, is associated with variants affecting Adenylate cyclase type 10. Understanding the role of this protein could open doors to potential therapeutic strategies for managing this condition and improving patient outcomes.

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