Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening 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 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
Receptor.AI
 
UPACC
Q96IL0

UPID:
COA8_HUMAN

ALTERNATIVE NAMES:
Apoptogenic protein 1, mitochondrial

ALTERNATIVE UPACC:
Q96IL0; H7C2Z1; Q53G28

BACKGROUND:
Apoptogenic protein 1, mitochondrial, known for its pivotal role in COX IV assembly, is integral to the mitochondrial respiratory chain's efficiency. It prevents the COX assembly from oxidative damage, ensuring the proper function of this critical energy-producing pathway.

THERAPEUTIC SIGNIFICANCE:
Associated with Mitochondrial complex IV deficiency, nuclear type 17, Apoptogenic protein 1's dysfunction leads to a range of severe clinical outcomes. Exploring the therapeutic potential of targeting this protein offers a promising avenue for mitigating the impacts of this debilitating mitochondrial disorder.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.