Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted libraries for ion channels.


 

Fig. 1. The screening workflow of Receptor.AI

The method involves in-depth molecular simulations of the ion channel in its native membrane environment, including its open, closed, and inactivated states, along with ensemble virtual screening that focuses on conformational mobility for each state. Tentative binding pockets are identified inside the pore, in the gating area, and at allosteric sites to address every conceivable mechanism 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
Receptor.AI
 
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:
Voltage-dependent T-type calcium channel subunit alpha-1H, recognized for its essential function in initiating T-type calcium currents, is integral to the 'low-voltage activated (LVA)' group. Its unique property of opening at negative potentials and undergoing voltage-dependent inactivation facilitates critical roles in pacemaking within central neurons and cardiac nodal cells, as well as supporting calcium signaling across various cell types. Additionally, it contributes to aldosterone production in the adrenal zona glomerulosa, influencing blood pressure regulation.

THERAPEUTIC SIGNIFICANCE:
Given its association with idiopathic generalized epilepsy, childhood absence epilepsy, and familial hyperaldosteronism, Voltage-dependent T-type calcium channel subunit alpha-1H presents a promising target for therapeutic intervention. Developing drugs that modulate this channel's activity offers a pathway to treat these diverse yet impactful conditions, emphasizing the need for comprehensive research into its mechanisms.

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