Focused On-demand Library for Voltage-dependent L-type calcium channel subunit alpha-1F

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

We employ our advanced, specialised process to create targeted libraries for ion channels.

Fig. 1. The sreening workflow of Receptor.AI

This includes extensive molecular simulations of the ion channel in its native membrane environment, in open, closed, and inactivated forms, paired with ensemble virtual screening that factors in conformational mobility in each state. Tentative binding pockets are considered in the pore, the gating region, and allosteric areas to capture the full range of mechanisms of action.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O60840

UPID:

CAC1F_HUMAN

Alternative names:

Voltage-gated calcium channel subunit alpha Cav1.4

Alternative UPACC:

O60840; A6NI29; F5CIQ9; O43901; O95226; Q9UHB1

Background:

The Voltage-dependent L-type calcium channel subunit alpha-1F, also known as Cav1.4, plays a crucial role in the entry of calcium ions into excitable cells. It is pivotal in various calcium-dependent processes such as muscle contraction, hormone release, and cell death. This protein generates L-type calcium currents, activating at more negative voltages without undergoing calcium-dependent inactivation.

Therapeutic significance:

Cav1.4 is implicated in several retinal disorders, including congenital stationary night blindness, cone-rod dystrophy, and Aaland island eye disease. These conditions highlight the protein's significance in visual function and underscore the potential of targeting Cav1.4 in therapeutic strategies aimed at mitigating visual impairment.