Focused On-demand Library for Calcium load-activated calcium channel

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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 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

Q9UM00

UPID:

TMCO1_HUMAN

Alternative names:

GEL complex subunit TMCO1; Transmembrane and coiled-coil domain-containing protein 1; Transmembrane and coiled-coil domains protein 4; Xenogeneic cross-immune protein PCIA3

Alternative UPACC:

Q9UM00; B2REA0; J9JIE6; O75545; Q9BZS3; Q9BZU8

Background:

The Calcium load-activated calcium channel, known as TMCO1, plays a pivotal role in maintaining calcium homeostasis by preventing calcium stores from overfilling. It forms a homotetramer in response to endoplasmic reticulum (ER) overloading, regulating calcium content within the ER. TMCO1 is also a component of the multi-pass translocon (MPT) complex, crucial for inserting multi-pass membrane proteins into lipid bilayers.

Therapeutic significance:

TMCO1's involvement in Craniofacial dysmorphism, skeletal anomalies and impaired intellectual development syndrome 1, and its association with Glaucoma, primary open angle, underscores its potential as a target for therapeutic intervention. Understanding TMCO1's role could lead to novel treatments for these conditions.