Focused On-demand Libraries - Receptor.AI 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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


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
Receptor.AI
 
UPACC
Q08499

UPID:
PDE4D_HUMAN

ALTERNATIVE NAMES:
DPDE3; PDE43

ALTERNATIVE UPACC:
Q08499; O43433; Q13549; Q13550; Q13551; Q7Z2L8; Q8IV84; Q8IVA9; Q8IVD2; Q8IVD3; Q96HL4; Q9HCX7

BACKGROUND:
cAMP-specific 3',5'-cyclic phosphodiesterase 4D, alternatively named DPDE3 or PDE43, is integral in the cAMP signaling pathway, breaking down cAMP to regulate cellular responses to hormonal stimuli. This enzyme's function is essential for maintaining cellular homeostasis and responding to external signals.

THERAPEUTIC SIGNIFICANCE:
Linked to Acrodysostosis 2, with or without hormone resistance, this protein's genetic variants underscore its importance in skeletal development and endocrine function. Exploring the therapeutic potential of targeting cAMP-specific 3',5'-cyclic phosphodiesterase 4D offers promising avenues for treating hormone resistance and related developmental disorders.

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