Focused On-demand Library for LIM domain-binding protein 3

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.

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 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.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O75112

UPID:

LDB3_HUMAN

Alternative names:

Protein cypher; Z-band alternatively spliced PDZ-motif protein

Alternative UPACC:

O75112; A2TDB7; A6NIV4; B4E3K3; Q5K6N9; Q5K6P0; Q5K6P1; Q96FH2; Q9Y4Z3; Q9Y4Z4; Q9Y4Z5

Background:

LIM domain-binding protein 3, also known as Protein cypher or Z-band alternatively spliced PDZ-motif protein, plays a crucial role in striated muscle. It functions as an adapter, linking protein kinase C-mediated signaling to the cytoskeleton through its LIM domains. This protein's involvement in muscle structure and function underscores its importance in maintaining muscular integrity.

Therapeutic significance:

LIM domain-binding protein 3 is implicated in several muscular and cardiovascular diseases, including Cardiomyopathy, dilated, 1C, with or without left ventricular non-compaction, Left ventricular non-compaction 3, and Myopathy, myofibrillar, 4. These associations highlight the protein's potential as a target for therapeutic intervention in treating muscle-related disorders and cardiomyopathies.