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 use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9UGV2
UPID:
NDRG3_HUMAN
Alternative names:
N-myc downstream-regulated gene 3 protein
Alternative UPACC:
Q9UGV2; A2A2S8; E1P5U7; E1P5U8; Q5TH32; Q96PL8; Q96SM2; Q9BXY7; Q9H3N7; Q9H411; Q9H8J6
Background:
Protein NDRG3, known as N-myc downstream-regulated gene 3 protein, plays a crucial role in cellular processes. Its involvement in various signaling pathways underscores its importance in maintaining cellular integrity and response to environmental stresses. The protein's alternative names and its unique identifier, Q9UGV2, highlight its distinct place in the proteomic landscape.
Therapeutic significance:
Understanding the role of Protein NDRG3 could open doors to potential therapeutic strategies. Its pivotal role in cellular mechanisms makes it a promising target for drug discovery, aiming to modulate its function for therapeutic benefits.