Focused On-demand Library for Cobalamin trafficking protein CblD

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9H3L0

UPID:

MMAD_HUMAN

Alternative names:

CblD; Methylmalonic aciduria and homocystinuria type D protein, mitochondrial

Alternative UPACC:

Q9H3L0; B2R895; D3DP91; O95891

Background:

Cobalamin trafficking protein CblD, also known as Methylmalonic aciduria and homocystinuria type D protein, plays a crucial role in cobalamin metabolism, ensuring the proper synthesis and balance of methylcob(III)alamin and 5'-deoxyadenosylcobalamin. It facilitates the oxidation of cob(II)alamin and is part of a multiprotein complex that includes MMACHC, MMADHC, MTRR, and MTR, optimizing cobalamin delivery for methionine production.

Therapeutic significance:

Methylmalonic aciduria and homocystinuria, cblD type, a disorder stemming from gene variants affecting CblD, highlights the protein's clinical relevance. Understanding CblD's role could unveil new therapeutic strategies for treating this metabolic disorder.