Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8WUM4
UPID:
PDC6I_HUMAN
Alternative names:
ALG-2-interacting protein 1; ALG-2-interacting protein X; Hp95
Alternative UPACC:
Q8WUM4; C5MQH7; E9PFU1; Q6NUS1; Q9BX86; Q9NUN0; Q9P2H2; Q9UKL5
Background:
Programmed cell death 6-interacting protein, also known as ALG-2-interacting protein 1, plays a pivotal role in various cellular processes including endocytosis, membrane repair, and cytokinesis. It is a key component of the ESCRT machinery, crucial for sorting cargo proteins into multivesicular bodies (MVBs) and facilitating membrane fission events like cytokinesis and virus budding, including HIV-1.
Therapeutic significance:
Given its involvement in Microcephaly 29, primary, autosomal recessive, characterized by reduced brain size and developmental delays, understanding the role of Programmed cell death 6-interacting protein could open doors to potential therapeutic strategies.