Focused On-demand Library for Protein-arginine deiminase type-6

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q6TGC4

UPID:

PADI6_HUMAN

Alternative names:

Peptidyl arginine deiminase-like protein; Peptidylarginine deiminase VI; Protein-arginine deiminase type VI

Alternative UPACC:

Q6TGC4; Q330K5; Q70SX3

Background:

Protein-arginine deiminase type-6, also known as Peptidylarginine deiminase VI, plays a crucial role in the post-translational modification of proteins by catalyzing the deimination of arginine residues. This process is pivotal in cytoskeletal reorganization within the egg and early embryo, facilitating crucial steps in embryonic development.

Therapeutic significance:

The protein's involvement in oocyte, zygote, and embryo maturation arrest 16, a rare cause of female primary infertility, underscores its therapeutic significance. Understanding the role of Protein-arginine deiminase type-6 could open doors to potential therapeutic strategies for treating infertility related to embryonic development arrest.