Focused On-demand Library for Heat shock protein beta-6

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

O14558

UPID:

HSPB6_HUMAN

Alternative names:

Heat shock 20 kDa-like protein p20

Alternative UPACC:

O14558; O14551; Q6NVI3; Q96MG9

Background:

Heat shock protein beta-6, also known as Heat shock 20 kDa-like protein p20, plays a pivotal role in cellular protection and recovery. As a molecular chaperone, it assists in maintaining denatured proteins in a state conducive to proper folding. Its involvement extends to various biological processes, including smooth muscle vasorelaxation, cardiac myocyte contractility, and myocardial angiogenesis, primarily implicating KDR. The protein's overexpression is linked to cardioprotection and enhanced angiogenesis following damage.

Therapeutic significance:

Understanding the role of Heat shock protein beta-6 could open doors to potential therapeutic strategies, particularly in the realms of cardiovascular diseases and muscle dysfunction. Its ability to mediate cardioprotection and support angiogenesis post-damage highlights its therapeutic potential.