Focused On-demand Library for S-adenosylhomocysteine hydrolase-like protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

O43865

UPID:

SAHH2_HUMAN

Alternative names:

DC-expressed AHCY-like molecule; IP(3)Rs binding protein released with IP(3); Putative adenosylhomocysteinase 2; S-adenosyl-L-homocysteine hydrolase 2

Alternative UPACC:

O43865; B4E168; Q2TAJ6; Q502W8; Q5VSM0; Q6P171; Q96PK4; Q9UG84

Background:

S-adenosylhomocysteine hydrolase-like protein 1, also known as AHCYL1, plays a pivotal role in cellular regulation, impacting processes such as epithelial HCO3(-) and fluid secretion, mRNA processing, and DNA replication. It modulates ITPR1 sensitivity, facilitates ER to mitochondria Ca(2+) transfer, and under stress, promotes apoptosis. AHCYL1's interaction with various transporters and enzymes underscores its importance in cellular homeostasis and signaling.

Therapeutic significance:

Understanding the role of S-adenosylhomocysteine hydrolase-like protein 1 could open doors to potential therapeutic strategies. Its involvement in critical cellular functions and stress response mechanisms highlights its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.