AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for N-acylneuraminate cytidylyltransferase

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

Reaxense

upacc

Q8NFW8

UPID:

NEUA_HUMAN

Alternative names:

CMP-N-acetylneuraminic acid synthase

Alternative UPACC:

Q8NFW8; Q96AX5; Q9NQZ0

Background:

N-acylneuraminate cytidylyltransferase, also known as CMP-N-acetylneuraminic acid synthase, plays a crucial role in cellular communication and adhesion processes. It catalyzes the activation of N-acetylneuraminic acid to CMP-N-acetylneuraminic acid, a vital substrate for sialic acid addition, impacting cell surface structures and signaling.

Therapeutic significance:

Understanding the role of N-acylneuraminate cytidylyltransferase could open doors to potential therapeutic strategies. Its involvement in the synthesis of key cellular components underlines its importance in maintaining cellular integrity and function.

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