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 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 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
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P22749
UPID:
GNLY_HUMAN
Alternative names:
Lymphokine LAG-2; Protein NKG5; T-cell activation protein 519
Alternative UPACC:
P22749; P09325; Q6GU08
Background:
Granulysin, also known as Lymphokine LAG-2, Protein NKG5, and T-cell activation protein 519, is a pivotal antimicrobial protein. It exhibits a broad-spectrum activity against a variety of pathogens including Gram-positive and Gram-negative bacteria, fungi, and parasites. Notably, it is effective in killing Mycobacterium tuberculosis.
Therapeutic significance:
Understanding the role of Granulysin could open doors to potential therapeutic strategies. Its broad antimicrobial properties suggest a promising avenue for developing treatments against a wide range of infectious diseases.