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 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 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 stands out due to several important features:
partner
Reaxense
upacc
Q96RE7
UPID:
NACC1_HUMAN
Alternative names:
BTB/POZ domain-containing protein 14B
Alternative UPACC:
Q96RE7
Background:
Nucleus accumbens-associated protein 1, also known as BTB/POZ domain-containing protein 14B, plays a crucial role in the cellular mechanisms underlying neurodevelopment and tumor progression. It functions as a transcriptional repressor, influencing neuronal cell activity and tumor cell proliferation by recruiting HDAC3 and HDAC4, and modulating proteasome localization.
Therapeutic significance:
Linked to a neurodevelopmental disorder with epilepsy, cataracts, and delayed brain myelination, understanding the role of Nucleus accumbens-associated protein 1 could open doors to potential therapeutic strategies for these severe conditions.