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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q5T9L3
UPID:
WLS_HUMAN
Alternative names:
Integral membrane protein GPR177; Protein evenness interrupted homolog; Putative NF-kappa-B-activating protein 373
Alternative UPACC:
Q5T9L3; B2RNT2; Q5JRS7; Q7Z2Z9; Q8NC43
Background:
Protein wntless homolog, also known as Integral membrane protein GPR177, plays a pivotal role in the regulation of Wnt proteins, crucial for cell signaling pathways that control embryonic development and adult tissue homeostasis. It ensures the proper sorting and secretion of Wnt proteins, facilitating a feedback mechanism essential for their expression and function.
Therapeutic significance:
Linked to Zaki syndrome, a disorder marked by developmental delays and various dysmorphic features, the study of Protein wntless homolog offers a pathway to understanding the genetic underpinnings of this condition. Targeting the protein's function could lead to innovative treatments for Zaki syndrome and potentially other Wnt-related disorders.