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 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P21810
UPID:
PGS1_HUMAN
Alternative names:
Bone/cartilage proteoglycan I; PG-S1
Alternative UPACC:
P21810; D3DWU3; P13247
Background:
Biglycan, also known as Bone/cartilage proteoglycan I or PG-S1, is a protein encoded by the gene with accession number P21810. It plays a crucial role in the body, potentially involved in collagen fiber assembly. This process is vital for maintaining the structural integrity of connective tissues, making Biglycan a key player in the body's structural framework.
Therapeutic significance:
Biglycan is linked to Meester-Loeys syndrome and Spondyloepimetaphyseal dysplasia, X-linked, diseases characterized by severe skeletal abnormalities. Understanding the role of Biglycan could open doors to potential therapeutic strategies for these genetic disorders, offering hope for targeted treatments that could alleviate symptoms or even correct the underlying genetic defects.