Focused On-demand Library for Heterogeneous nuclear ribonucleoprotein A1

Focused On-demand Libraries - Reaxense 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 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening 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 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

P09651

UPID:

ROA1_HUMAN

Alternative names:

Helix-destabilizing protein; Single-strand RNA-binding protein; hnRNP core protein A1

Alternative UPACC:

P09651; A8K4Z8; Q3MIB7; Q6PJZ7

Background:

Heterogeneous nuclear ribonucleoprotein A1 (hnRNP A1) plays a pivotal role in cellular processes, including pre-mRNA packaging, mRNA transport, and splice site selection. It influences the splicing of pyruvate kinase PKM and inhibits the translation of APAF1, impacting apoptosis. Additionally, hnRNP A1 interacts with miRNA hairpins and is implicated in microbial infections, highlighting its versatility in RNA biology.

Therapeutic significance:

hnRNP A1's involvement in diseases such as Inclusion body myopathy with early-onset Paget disease and Amyotrophic lateral sclerosis 20 underscores its potential as a therapeutic target. Understanding its role could open doors to novel treatments for these debilitating conditions.