Focused On-demand Library for Multiple PDZ domain protein

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

O75970

UPID:

MPDZ_HUMAN

Alternative names:

Multi-PDZ domain protein 1

Alternative UPACC:

O75970; A6NLC2; B2RTS3; B7ZMI4; O43798; Q4LE30; Q5CZ80; Q5JTX3; Q5JTX6; Q5JTX7; Q5JUC3; Q5JUC4; Q5VZ62; Q8N790

Background:

The Multiple PDZ domain protein, also known as Multi-PDZ domain protein 1, plays a crucial role in synaptic plasticity, facilitating AMPAR potentiation through its involvement in the NMDAR signaling complex. This protein's ability to promote HT2RC clustering at the cell surface further underscores its significance in excitatory synapses.

Therapeutic significance:

Linked to congenital hydrocephalus 2, characterized by enlarged ventricles and variable neurologic impairment, the Multiple PDZ domain protein's genetic variants offer a promising target for therapeutic intervention. Understanding its role could pave the way for innovative treatments for this and potentially other brain abnormalities.