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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O15263
UPID:
DFB4A_HUMAN
Alternative names:
Beta-defensin 2; Defensin, beta 2; Skin-antimicrobial peptide 1
Alternative UPACC:
O15263; Q52LC0
Background:
Defensin beta 4A, also known as Beta-defensin 2, plays a crucial role in the innate immune response. Exhibiting potent antimicrobial activity against a broad spectrum of pathogens including Gram-negative and Gram-positive bacteria, it is particularly effective against Gram-negative bacteria. Its antimicrobial prowess extends to combating yeast infections, specifically C.albicans, by targeting and permeabilizing cell membranes. Additionally, Defensin beta 4A serves as a ligand for the C-C chemokine receptor CCR6, inducing chemotactic activity in certain immune cells.
Therapeutic significance:
Understanding the role of Defensin beta 4A could open doors to potential therapeutic strategies. Its broad-spectrum antimicrobial activity and ability to modulate immune cell migration highlight its potential as a target for developing new antimicrobial agents and immunotherapies.