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 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.
We employ our advanced, specialised process to create targeted 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 stands out due to several important features:
partner
Reaxense
upacc
Q96NR3
UPID:
PTHD1_HUMAN
Alternative names:
-
Alternative UPACC:
Q96NR3; B4DQH0; Q0IJ60; Q6P6B8
Background:
Patched domain-containing protein 1 plays a pivotal role in the development and function of the thalamic reticular nucleus (TRN), essential for thalamocortical transmission, sleep rhythm generation, sensorimotor processing, and attention.
Therapeutic significance:
Given its crucial role in the TRN and its association with Autism, X-linked 4, understanding the function of Patched domain-containing protein 1 could unveil novel therapeutic strategies for autism and related neurological conditions.