Focused On-demand Library for Voltage-dependent T-type calcium channel subunit alpha-1H

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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 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

O95180

UPID:

CAC1H_HUMAN

Alternative names:

Low-voltage-activated calcium channel alpha1 3.2 subunit; Voltage-gated calcium channel subunit alpha Cav3.2

Alternative UPACC:

O95180; B5ME00; F8WFD1; O95802; Q8WWI6; Q96QI6; Q96RZ9; Q9NYY4; Q9NYY5

Background:

The Voltage-dependent T-type calcium channel subunit alpha-1H, also known as the low-voltage-activated calcium channel alpha1 3.2 subunit or Voltage-gated calcium channel subunit alpha Cav3.2, plays a crucial role in generating T-type calcium currents. These channels, part of the 'low-voltage activated (LVA)' group, are distinctive for their activation at negative potentials and voltage-dependent inactivation. They are pivotal in pacemaking functions in neurons and cardiac nodal cells, calcium signaling in secretory cells and vascular smooth muscle, and modulating neuronal firing patterns.

Therapeutic significance:

The involvement of Voltage-dependent T-type calcium channel subunit alpha-1H in diseases such as Epilepsy, idiopathic generalized 6, Epilepsy, childhood absence 6, and Hyperaldosteronism, familial, 4, underscores its therapeutic significance. Targeting this protein could lead to innovative treatments for these conditions, highlighting the importance of understanding its function and regulation.