Focused On-demand Library for Protein N-terminal asparagine amidohydrolase

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 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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 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

Q96AB6

UPID:

NTAN1_HUMAN

Alternative names:

Protein NH2-terminal asparagine amidohydrolase; Protein NH2-terminal asparagine deamidase

Alternative UPACC:

Q96AB6; Q7Z4Z0

Background:

Protein N-terminal asparagine amidohydrolase, also known as Protein NH2-terminal asparagine deamidase, plays a crucial role in protein turnover. It specifically mediates the deamidation of N-terminal asparagine residues to aspartate, a process essential for the ubiquitin-dependent degradation of intracellular proteins. This enzyme's activity is pivotal for maintaining protein homeostasis by targeting proteins that begin with Met-Asn for degradation.

Therapeutic significance:

Understanding the role of Protein N-terminal asparagine amidohydrolase could open doors to potential therapeutic strategies. Its unique function in protein turnover and degradation pathways highlights its potential as a target for modulating disease-related protein accumulations.