Focused On-demand Library for Diablo IAP-binding mitochondrial protein

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 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.

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 use our state-of-the-art dedicated workflow for designing focused libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

This process entails comprehensive molecular simulations of the target protein, individually and in complex with essential partner proteins, along with ensemble virtual screening that focuses on conformational mobility in both its free and complex states. Potential binding pockets are considered at the protein-protein interaction interface and in remote allosteric locations to address every conceivable mechanism of action.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9NR28

UPID:

DBLOH_HUMAN

Alternative names:

Diablo homolog, mitochondrial; Direct IAP-binding protein with low pI; Second mitochondria-derived activator of caspase

Alternative UPACC:

Q9NR28; B2RDQ0; Q6W3F3; Q96LV0; Q9BT11; Q9HAV6

Background:

Diablo IAP-binding mitochondrial protein, also known as Diablo homolog, mitochondrial, Direct IAP-binding protein with low pI, and Second mitochondria-derived activator of caspase, plays a pivotal role in promoting apoptosis. It activates caspases in the cytochrome c/Apaf-1/caspase-9 pathway, countering the inhibitory activity of IAPs and facilitating the degradation of XIAP/BIRC4 through the ubiquitin-proteasome pathway.

Therapeutic significance:

Linked to Deafness, autosomal dominant, 64, due to its role in apoptosis, understanding Diablo IAP-binding mitochondrial protein's function could unveil new therapeutic strategies for sensorineural hearing loss and potentially other apoptosis-related disorders.