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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O75340
UPID:
PDCD6_HUMAN
Alternative names:
Apoptosis-linked gene 2 protein homolog
Alternative UPACC:
O75340; B2RD16; E7ESR3; Q2YDC2; Q5TZS0
Background:
Programmed cell death protein 6, also known as Apoptosis-linked gene 2 protein homolog, is a pivotal calcium sensor involved in various cellular processes such as ER-Golgi vesicular transport, endosomal biogenesis, and membrane repair. It facilitates the bridging of unrelated proteins or stabilizes protein-protein complexes in response to calcium, playing a crucial role in cellular transport mechanisms and apoptosis.
Therapeutic significance:
Understanding the role of Programmed cell death protein 6 could open doors to potential therapeutic strategies.