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Related Experiment Video

Updated: Apr 19, 2026

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

Published on: September 2, 2020

Implementing the "Best Template Searching" tool into Adenosiland platform.

Matteo Floris¹, Davide Sabbadin², Antonella Ciancetta²

¹CRS4, Parco Polaris, 09010 Pula, CA Italy.

In Silico Pharmacology

|December 16, 2014

Summary

This summary is machine-generated.

Adenosine receptors (ARs) modeling is aided by the new "Best Template Searching" tool on Adenosiland. This facility helps select templates and homology models based on ligand similarity for improved drug design.

Keywords:

Adenosiland Adenosine receptors Bioinformatics platform G protein-coupled receptors Receptor modelling

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Area of Science:

Structural biology
Computational chemistry
Pharmacology

Background:

Adenosine receptors (ARs) are G protein-coupled receptors (GPCRs).
X-ray structures of human A2A AR (hA2A AR) facilitate structure-based drug design.
Homology modeling is crucial for obtaining structural data on other AR subtypes (A1, A2B, A3).

Observation:

The Adenosiland web resource now includes a "Best Template Searching" tool.
This tool assists users in selecting templates or homology models for ARs.
It aims to simplify the process of building homology models for AR subtypes.

Findings:

The tool suggests templates and homology models based on ligand similarity to known hA2A AR ligands.
It calculates various similarity indexes to rank potential templates and models.
Users can select their preferred similarity index for sorting results.

Implications:

The "Best Template Searching" facility enhances AR homology modeling.
This approach can be extended to other GPCRs for template and model selection.
It supports structure-based drug design efforts for ARs and related receptors.