Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
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.