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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UHW5
UPID:
GPN3_HUMAN
Alternative names:
ATP-binding domain 1 family member C
Alternative UPACC:
Q9UHW5; B2RC54; D4YWV1; F5H759; Q53FS3; Q6UVZ6; Q7Z3D3; Q8NEI2; Q96HK9
Background:
GPN-loop GTPase 3, also known as ATP-binding domain 1 family member C, plays a crucial role in cellular processes by ensuring the proper localization of RNA polymerase II (RNAPII). This protein is pivotal for the transcription machinery, potentially acting at an assembly step before RNAPII is imported into the nucleus.
Therapeutic significance:
Understanding the role of GPN-loop GTPase 3 could open doors to potential therapeutic strategies. Its critical function in the transcription process highlights its importance in cellular biology and disease mechanisms.