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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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

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.