Focused On-demand Library for Monocarboxylate transporter 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P53985

UPID:

MOT1_HUMAN

Alternative names:

Solute carrier family 16 member 1

Alternative UPACC:

P53985; Q49A45; Q5T8R6; Q9NSJ9

Background:

Monocarboxylate transporter 1 (MCT1), also known as Solute carrier family 16 member 1, plays a crucial role in cellular energy metabolism. It facilitates the bidirectional transport of monocarboxylates such as lactate, pyruvate, and ketone bodies across the plasma membrane, contributing to pH regulation and energy homeostasis.

Therapeutic significance:

MCT1's involvement in diseases like symptomatic deficiency in lactate transport, hyperinsulinemic hypoglycemia, and monocarboxylate transporter 1 deficiency highlights its potential as a therapeutic target. Understanding MCT1's role could open doors to novel treatments for these metabolic disorders.