Focused On-demand Library for High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A

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 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 our associate 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.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Reaxense

upacc

O76083

UPID:

PDE9A_HUMAN

Alternative names:

Alternative UPACC:

O76083; B2RBI5; B4DFI5; D3DSJ8; D3DSJ9; O75490; O75491; O95225; Q53Y40; Q5QD39; Q86SF7; Q86SI6; Q86SJ3; Q86WN3; Q86WN4; Q86WN5; Q86WN6; Q86WN7; Q86WN8; Q86WN9; Q86WP0

Background:

High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A) plays a pivotal role in hydrolyzing the second messenger cGMP, a crucial regulator of various physiological processes. It exhibits unparalleled affinity and selectivity for cGMP over other cyclic nucleotide phosphodiesterases. PDE9A is instrumental in modulating natriuretic-peptide-dependent cGMP signaling in the heart, thereby acting as a key regulator of cardiac hypertrophy. Its role extends to the brain, where it is implicated in cognitive functions, including learning and memory.

Therapeutic significance:

Understanding the role of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A could open doors to potential therapeutic strategies, particularly in the management of cardiac hypertrophy and cognitive disorders.