Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised 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:
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.