Focused On-demand Library for DnaJ homolog subfamily B member 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P25686

UPID:

DNJB2_HUMAN

Alternative names:

Heat shock 40 kDa protein 3; Heat shock protein J1

Alternative UPACC:

P25686; A8K9P6; Q53QD7; Q8IUK1; Q8IUK2; Q96F52

Background:

DnaJ homolog subfamily B member 2, also known as Heat shock 40 kDa protein 3 or Heat shock protein J1, plays a pivotal role in cellular stress responses. It functions as a co-chaperone, enhancing the ATPase activity of HSP70 family chaperones, crucial for protein folding and repair. Additionally, it aids in the proteasomal degradation of misfolded proteins, preventing their aggregation and promoting cellular recovery.

Therapeutic significance:

The protein is linked to Distal spinal muscular atrophy, autosomal recessive, 5, a neurologic disorder characterized by muscle weakness and atrophy. Understanding the role of DnaJ homolog subfamily B member 2 in this condition could pave the way for novel therapeutic strategies targeting motor nerve function and protein homeostasis.