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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96LB9
UPID:
PGRP3_HUMAN
Alternative names:
Peptidoglycan recognition protein I-alpha; Peptidoglycan recognition protein intermediate alpha
Alternative UPACC:
Q96LB9; A1A4U8; Q5SY65
Background:
Peptidoglycan recognition protein 3, also known as Peptidoglycan recognition protein I-alpha and intermediate alpha, plays a pivotal role in the innate immune system. It binds to murein peptidoglycans of Gram-positive bacteria, exhibiting bactericidal activity by potentially interfering with peptidoglycan biosynthesis. Additionally, it binds to Gram-negative bacteria, displaying bacteriostatic activity.
Therapeutic significance:
Understanding the role of Peptidoglycan recognition protein 3 could open doors to potential therapeutic strategies.