Focused On-demand Library for Monocarboxylate transporter 8

Available from Reaxense
Predicted by Alphafold

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







Alternative names:

Monocarboxylate transporter 7; Solute carrier family 16 member 2; X-linked PEST-containing transporter

Alternative UPACC:

P36021; Q7Z797


Monocarboxylate transporter 8 (MCT8), also known as solute carrier family 16 member 2, plays a pivotal role in thyroid hormone transport across cell membranes. It facilitates the uptake and efflux of thyroid hormones, including T3 and T4, crucial for metabolic regulation and development. MCT8's unique ability to transport thyroid hormones independently of pH or sodium gradients underscores its significance in maintaining hormonal balance.

Therapeutic significance:

Monocarboxylate transporter 8 deficiency is a severe X-linked condition characterized by psychomotor retardation and abnormal thyroid hormone levels. This disorder highlights the critical role of MCT8 in neurological development and thyroid hormone distribution. Understanding MCT8's function could lead to novel therapeutic strategies for managing its deficiency and related thyroid hormone transport disorders.

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