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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q92902
UPID:
HPS1_HUMAN
Alternative names:
Hermansky-Pudlak syndrome 1 protein
Alternative UPACC:
Q92902; A8MRT2; O15402; O15502; Q5TAA3; Q8WXE5
Background:
The BLOC-3 complex member HPS1, also known as Hermansky-Pudlak syndrome 1 protein, plays a pivotal role in cellular processes. It functions as a guanine exchange factor for RAB32 and RAB38, facilitating the conversion of these molecules from an inactive GDP-bound form to an active GTP-bound form. This activity is crucial for melanin production and melanosome biogenesis, highlighting the protein's significant role in pigmentation.
Therapeutic significance:
HPS1's involvement in Hermansky-Pudlak syndrome 1, a disorder characterized by oculocutaneous albinism, bleeding issues, and lysosomal storage defects, underscores its therapeutic potential. Targeting HPS1 could lead to innovative treatments for this syndrome, particularly in managing pulmonary fibrosis, a major cause of mortality in affected individuals.