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.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P39687

UPID:
AN32A_HUMAN

ALTERNATIVE NAMES:
Acidic nuclear phosphoprotein pp32; Leucine-rich acidic nuclear protein; Mapmodulin; Potent heat-stable protein phosphatase 2A inhibitor I1PP2A; Putative HLA-DR-associated protein I

ALTERNATIVE UPACC:
P39687; B2R6T4; Q53FK4; Q5J8L8; Q7M4N6

BACKGROUND:
The Acidic leucine-rich nuclear phosphoprotein 32 family member A (ALNP32A) serves as a key regulator in various biological processes including tumor suppression, apoptosis, and transcription regulation. It facilitates apoptosis by enabling caspase-9 activation and plays a crucial role in histone acetylation modulation as part of the INHAT complex. ALNP32A's ability to bind to histone H3 and inhibit its modification is vital for cell growth regulation. It also impacts mRNA stability and is instrumental in the replication of influenza A, B, and C viruses, highlighting its multifaceted biological significance.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Acidic leucine-rich nuclear phosphoprotein 32 family member A unveils promising avenues for the development of novel therapeutic interventions.

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