Focused On-demand Library for 60 kDa heat shock protein, mitochondrial

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 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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

P10809

UPID:

CH60_HUMAN

Alternative names:

60 kDa chaperonin; Chaperonin 60; Heat shock protein 60; HuCHA60; Mitochondrial matrix protein P1; P60 lymphocyte protein

Alternative UPACC:

P10809; B2R5M6; B7Z712; Q38L19; Q9UCR6

Background:

The 60 kDa heat shock protein, mitochondrial (Hsp60), plays a pivotal role in mitochondrial protein import and macromolecular assembly. It works in tandem with Hsp10 to ensure the correct folding of imported proteins and to assist in the refolding of stress-generated unfolded polypeptides in the mitochondrial matrix. Hsp60's function is crucial for maintaining cellular function under stress conditions, highlighting its importance in cellular homeostasis.

Therapeutic significance:

Hsp60 is implicated in diseases such as Spastic paraplegia 13, autosomal dominant, and Leukodystrophy, hypomyelinating, 4, both of which involve neurodegenerative processes. Understanding the role of Hsp60 could open doors to potential therapeutic strategies for these and other mitochondrial dysfunction-related diseases.