Focused On-demand Library for CASP8 and FADD-like apoptosis regulator

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 employ our advanced, specialised process to create targeted 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.

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

O15519

UPID:

CFLAR_HUMAN

Alternative names:

Caspase homolog; Caspase-eight-related protein; Caspase-like apoptosis regulatory protein; Cellular FLICE-like inhibitory protein; FADD-like antiapoptotic molecule 1; Inhibitor of FLICE; MACH-related inducer of toxicity; Usurpin

Alternative UPACC:

O15519; B4DJE0; B7Z9F9; O14673; O14674; O14675; O15137; O15138; O15356; O15510; O43618; O43619; O43620; O60458; O60459; Q53TS6; Q54AF1; Q96TE4; Q9UEW1

Background:

The CASP8 and FADD-like apoptosis regulator, known by alternative names such as Cellular FLICE-like inhibitory protein and Inhibitor of FLICE, plays a pivotal role in cell death and survival pathways. It acts as a crucial inhibitor of TNFRSF6 mediated apoptosis, with its proteolytic fragment (p43) blocking further recruitment and processing of caspase-8, thus influencing the balance between apoptosis and cell survival.

Therapeutic significance:

Understanding the role of CASP8 and FADD-like apoptosis regulator could open doors to potential therapeutic strategies. Its ability to modulate apoptosis makes it a key target for drug discovery efforts aimed at treating diseases where cell death regulation is disrupted.