Focused On-demand Library for Monocarboxylate transporter 8

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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.

partner

Reaxense

upacc

P36021

UPID:

MOT8_HUMAN

Alternative names:

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

Alternative UPACC:

P36021; Q7Z797

Background:

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.