Focused On-demand Library for Paraplegin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q9UQ90

UPID:

SPG7_HUMAN

Alternative names:

Cell matrix adhesion regulator; Spastic paraplegia 7 protein

Alternative UPACC:

Q9UQ90; O75756; Q2TB70; Q58F00; Q96IB0

Background:

Paraplegin, also known as the Spastic paraplegia 7 protein, functions as an ATP-dependent zinc metalloprotease. It plays a pivotal role in the formation and regulation of the mitochondrial permeability transition pore (mPTP), a key player in cell death and survival. Its proteolytic activity, while significant, is noted to be dispensable for mPTP regulation.

Therapeutic significance:

Paraplegin's involvement in Spastic paraplegia 7, an autosomal recessive neurodegenerative disorder, underscores its clinical importance. The disorder manifests as progressive weakness and spasticity of the lower limbs, among other symptoms. Understanding Paraplegin's role could pave the way for innovative therapeutic strategies targeting mitochondrial dysfunction in neurodegenerative diseases.