AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for NBAS subunit of NRZ tethering complex

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

A2RRP1

UPID:

NBAS_HUMAN

Alternative names:

Neuroblastoma-amplified gene protein; Neuroblastoma-amplified sequence

Alternative UPACC:

A2RRP1; O95790; Q2VPJ7; Q53TK6; Q86V39; Q8NFY8; Q9Y3W5

Background:

The NBAS subunit of the NRZ tethering complex plays a crucial role in Golgi-to-ER retrograde transport, essential for cellular homeostasis. Its involvement in SNARE assembly at the ER and a role in the nonsense-mediated decay pathway underscore its multifunctionality. The protein is also known by its alternative names, Neuroblastoma-amplified gene protein and Neuroblastoma-amplified sequence.

Therapeutic significance:

NBAS is implicated in severe disorders such as Short stature, optic nerve atrophy, and Pelger-Huet anomaly, and Infantile liver failure syndrome 2. These associations highlight its potential as a target for therapeutic intervention in genetic diseases affecting growth, vision, and liver function.

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