Focused On-demand Library for Polyamine-transporting ATPase 13A3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q9H7F0

UPID:

AT133_HUMAN

Alternative names:

ATPase family homolog up-regulated in senescence cells 1; Putrescine transporting ATPase

Alternative UPACC:

Q9H7F0; Q8NC11; Q96KS1

Background:

Polyamine-transporting ATPase 13A3, also known as ATPase family homolog up-regulated in senescence cells 1 and Putrescine transporting ATPase, plays a crucial role in cellular processes by facilitating the ATP-driven transport of the polyamine precursor putrescine from the endosomal compartment to the cytosol. This action is vital for maintaining cellular polyamine levels and supporting cell growth and proliferation.

Therapeutic significance:

The protein's involvement in primary pulmonary hypertension, specifically the autosomal recessive form PPH5, highlights its potential as a therapeutic target. This condition, characterized by elevated pulmonary arterial pressure and early childhood mortality, underscores the urgent need for innovative treatment strategies. Understanding the role of Polyamine-transporting ATPase 13A3 could open doors to potential therapeutic strategies.