Focused On-demand Library for DnaJ homolog subfamily A member 3, 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 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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 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

Q96EY1

UPID:

DNJA3_HUMAN

Alternative names:

DnaJ protein Tid-1; Hepatocellular carcinoma-associated antigen 57; Tumorous imaginal discs protein Tid56 homolog

Alternative UPACC:

Q96EY1; B2RAJ5; B4DI33; E7ES32; O75472; Q8WUJ6; Q8WXJ3; Q96D76; Q96IV1; Q9NYH8

Background:

DnaJ homolog subfamily A member 3, mitochondrial, known as DnaJ protein Tid-1, plays a pivotal role in modulating apoptotic signal transduction within the mitochondrial matrix. It influences cytochrome C release and caspase 3 activation, crucial for apoptosis, while not affecting caspase 8. Notably, its isoform 1 enhances apoptosis induced by TNF and mytomycin C, whereas isoform 2 inhibits apoptosis, showcasing its dual functionality. Additionally, it modulates IFN-gamma-mediated transcription and may impact neuromuscular junction development through the MUSK signaling pathway.

Therapeutic significance:

Understanding the role of DnaJ homolog subfamily A member 3, mitochondrial, could open doors to potential therapeutic strategies.