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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6ZSM3
UPID:
MOT12_HUMAN
Alternative names:
Creatine transporter 2; Solute carrier family 16 member 12
Alternative UPACC:
Q6ZSM3; E9PSF9; Q5M9M9; Q5T7J2; Q6ZV76
Background:
Monocarboxylate transporter 12, also known as Creatine transporter 2 and Solute carrier family 16 member 12, plays a crucial role in the transport of creatine and its precursor guanidinoacetate. This process is vital for creatine biosynthesis and distribution, functioning independently of resting membrane potential and extracellular Na(+), Cl(-), or pH levels.
Therapeutic significance:
The protein is implicated in Cataract 47, a disease characterized by cataract formation, microcornea, and renal glucosuria. Understanding the role of Monocarboxylate transporter 12 could open doors to potential therapeutic strategies for treating this condition and improving visual function.