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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
We utilise our cutting-edge, exclusive workflow to develop 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P35548
UPID:
MSX2_HUMAN
Alternative names:
Homeobox protein Hox-8
Alternative UPACC:
P35548; D3DQN1; Q53XM4; Q9UD60
Background:
Homeobox protein MSX-2, also known as Homeobox protein Hox-8, plays a pivotal role in bone development and limb-pattern formation. It functions as a transcriptional regulator, repressing ALPL promoter activity and antagonizing DLX5's stimulatory effect on ALPL expression during osteoblast differentiation. MSX-2's ability to suppress transcription driven by the osteocalcin FGF response element underscores its significance in skeletal development.
Therapeutic significance:
MSX-2 is implicated in several cranial and skeletal disorders, including Parietal foramina 1, Parietal foramina with cleidocranial dysplasia, and Craniosynostosis 2. These conditions highlight the protein's crucial role in skull and clavicle ossification. Understanding MSX-2's function could lead to innovative treatments for these developmental abnormalities, offering hope for affected individuals.