Focused On-demand Library for Monocarboxylate transporter 12

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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 employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


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
Receptor.AI
 
UPACC
Q6ZSM3

UPID:
MOT12_HUMAN

ALTERNATIVE NAMES:
Creatine transporter 2; Solute carrier family 16 member 12

ALTERNATIVE UPACC:
Q6ZSM3; E9PSF9; Q5M9M9; Q5T7J2; Q6ZV76

BACKGROUND:
The protein Monocarboxylate transporter 12, known alternatively as Creatine transporter 2 and Solute carrier family 16 member 12, is essential for transporting creatine and guanidinoacetate. Its function is crucial for the biosynthesis and distribution of creatine, operating independently of external factors such as Na(+), Cl(-), or pH.

THERAPEUTIC SIGNIFICANCE:
Linked to Cataract 47, Monocarboxylate transporter 12's dysfunction manifests in visual impairments due to cataract, alongside microcornea and renal glucosuria. Exploring the functions of this protein could lead to innovative treatments for these visual and renal anomalies.

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