Focused On-demand Library for Lysosomal cobalamin transport escort protein LMBD1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We employ our advanced, specialised process to create targeted 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

Q9NUN5

UPID:

LMBD1_HUMAN

Alternative names:

HDAg-L-interacting protein NESI; LMBR1 domain-containing protein 1; Nuclear export signal-interacting protein

Alternative UPACC:

Q9NUN5; A8K204; E1P531; Q5VUN6; Q86Y70; Q96FW4; Q9BY56; Q9NZD6

Background:

Lysosomal cobalamin transport escort protein LMBD1, also known as HDAg-L-interacting protein NESI, plays a crucial role in vitamin B12 metabolism. It functions as a lysosomal membrane chaperone, facilitating the export of cobalamin from the lysosome to the cytosol. This process is essential for the conversion of cobalamin into its active cofactors. LMBD1's interaction with the ABCD4 transporter and MMACHC is vital for transporting cobalamin across the lysosomal membrane. Additionally, it is involved in the internalization of the insulin receptor and early embryogenesis.

Therapeutic significance:

The protein's association with Methylmalonic aciduria and homocystinuria, cblF type, a disorder of cobalamin metabolism, highlights its therapeutic significance. Understanding the role of Lysosomal cobalamin transport escort protein LMBD1 could open doors to potential therapeutic strategies for treating this genetic condition.