Focused On-demand Library for ATP-binding cassette sub-family A member 2

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.

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.

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.

We employ our advanced, specialised process to create 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9BZC7

UPID:

ABCA2_HUMAN

Alternative names:

ATP-binding cassette transporter 2

Alternative UPACC:

Q9BZC7; A6NED5; Q5SPY5; Q5W9G5; Q76MW7; Q9HC28

Background:

ATP-binding cassette sub-family A member 2, also known as ATP-binding cassette transporter 2, plays a crucial role in lipid transport, influencing cholesterol sequestration and sphingolipid metabolism in late endosomes/lysosomes. This protein is instrumental in maintaining cholesterol homeostasis and modulating amyloid-beta production, which is pivotal in neurodegenerative diseases. Its involvement in myelin formation suggests a broader significance in neural function and development.

Therapeutic significance:

The protein's link to Intellectual developmental disorder with poor growth and with or without seizures or ataxia highlights its therapeutic potential. Understanding the role of ATP-binding cassette sub-family A member 2 could open doors to potential therapeutic strategies, especially in targeting lipid metabolism disorders and neurodegenerative diseases.