Focused On-demand Library for Transmembrane protein 53

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q6P2H8

UPID:

TMM53_HUMAN

Alternative names:

Nuclear envelope transmembrane protein 4

Alternative UPACC:

Q6P2H8; B4DKG0; Q5JPH2; Q6IA07; Q9H6E2

Background:

Transmembrane protein 53, also known as Nuclear envelope transmembrane protein 4, plays a crucial role in bone formation. It achieves this by negatively regulating bone morphogenetic protein (BMP) signaling in osteoblast lineage cells, preventing the translocation of phosphorylated SMAD1/5/9 proteins from the cytoplasm to the nucleus. This regulation is essential for maintaining bone integrity and development.

Therapeutic significance:

The protein is linked to Craniotubular dysplasia, Ikegawa type, a disease characterized by sclerosing bone disorder, progressive vision loss, and potential deafness due to optic nerve compression. Understanding the role of Transmembrane protein 53 could open doors to potential therapeutic strategies for treating or managing this condition.