Focused On-demand Library for CMP-sialic acid transporter

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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 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

P78382

UPID:

S35A1_HUMAN

Alternative names:

Solute carrier family 35 member A1

Alternative UPACC:

P78382; Q5W1L8

Background:

The CMP-sialic acid transporter, also known as Solute carrier family 35 member A1, plays a pivotal role in cellular function by transporting CMP-sialic acid from the cytosol into the Golgi apparatus. This process is crucial for the proper glycosylation of proteins, a post-translational modification essential for protein stability and function. The transporter operates as an antiporter, exchanging CMP-sialic acid for CMP, and demonstrates a higher affinity for free CMP. Additionally, it facilitates the transport of CDP-ribitol, underscoring its versatility in cellular transport mechanisms.

Therapeutic significance:

Given its critical role in protein N-glycosylation, the CMP-sialic acid transporter is directly implicated in Congenital disorder of glycosylation 2F, a severe inherited disease characterized by a broad spectrum of clinical features including developmental disorders and immunodeficiency. Understanding the role of this transporter could open doors to potential therapeutic strategies aimed at correcting glycosylation defects.