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.
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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P22059
UPID:
OSBP1_HUMAN
Alternative names:
-
Alternative UPACC:
P22059; Q6P524
Background:
Oxysterol-binding protein 1 (OSBP1) plays a pivotal role in lipid transport, specifically mediating the exchange of sterols and phosphatidylinositol 4-phosphate between the Golgi complex and the endoplasmic reticulum. This process is crucial for maintaining cellular lipid balance. OSBP1's ability to bind cholesterol and various oxysterols, such as 25-hydroxycholesterol, influences several cellular processes, including cholesterol efflux and the regulation of ERK1/2 phosphorylation through its interaction with PP2A and a tyrosine phosphatase.
Therapeutic significance:
Understanding the role of Oxysterol-binding protein 1 could open doors to potential therapeutic strategies. Its involvement in lipid transport and cholesterol homeostasis presents it as a promising target for addressing disorders related to lipid imbalance and cholesterol metabolism.