Focused On-demand Library for Heat shock protein 105 kDa

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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q92598

UPID:

HS105_HUMAN

Alternative names:

Antigen NY-CO-25; Heat shock 110 kDa protein

Alternative UPACC:

Q92598; B4DYH1; O95739; Q5TBM6; Q5TBM7; Q5TBM8; Q9UPC4

Background:

The Heat shock protein 105 kDa, also known as Antigen NY-CO-25, plays a crucial role in cellular stress response. It functions as a nucleotide-exchange factor for chaperone proteins HSPA1A and HSPA1B, facilitating the release of ADP and thereby promoting the release of client proteins. This protein is vital in preventing the aggregation of denatured proteins under severe stress by maintaining ATP levels.

Therapeutic significance:

Understanding the role of Heat shock protein 105 kDa could open doors to potential therapeutic strategies. Its ability to prevent protein aggregation and maintain cellular homeostasis under stress highlights its potential as a target in diseases characterized by protein misfolding and aggregation.