Focused On-demand Library for Protein CLEC16A

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q2KHT3

UPID:

CL16A_HUMAN

Alternative names:

C-type lectin domain family 16 member A

Alternative UPACC:

Q2KHT3; O15058; Q6ZTB2

Background:

Protein CLEC16A, also known as C-type lectin domain family 16 member A, plays a pivotal role in cellular processes, particularly in mitophagy, the selective autophagy necessary for mitochondrial quality control. It functions through the RNF41/NRDP1-PRKN pathway, regulating autophagosome-lysosome fusion during late mitophagy and protecting RNF41/NRDP1 from proteasomal degradation. This protein is crucial for maintaining mitochondrial health and beta cell functions.

Therapeutic significance:

CLEC16A is linked to Type 1 diabetes mellitus, a disorder of glucose homeostasis leading to severe complications affecting eyes, kidneys, nerves, and blood vessels. Variants affecting CLEC16A have been associated with the disease, highlighting its potential as a target for therapeutic strategies aimed at improving beta cell function and mitigating disease progression.