Focused On-demand Libraries - Receptor.AI 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.


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 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 employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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
Receptor.AI
 
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:
CASP8 and FADD-like apoptosis regulator, also known as Caspase-eight-related protein and MACH-related inducer of toxicity, lacks enzymatic activity but is integral in regulating apoptosis. It can either induce apoptosis or inhibit TNFRSF-triggered apoptosis, showcasing its dual role in cell death and survival mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of CASP8 and FADD-like apoptosis regulator offers promising avenues for therapeutic intervention. Its central role in apoptosis regulation positions it as a potential target for developing treatments for conditions characterized by abnormal cell death.

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