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Selected Papers from 7th RSC/SCI Symposium on GPCRs in Medicinal...
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Selected Papers from 7th RSC/SCI Symposium on GPCRs in Medicinal Chemistry

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Chemical and Molecular Sciences".

Deadline for manuscript submissions: closed (30 September 2019) | Viewed by 3404

Special Issue Editor

Dr. Hugo Gutiérrez de Terán

E-Mail Website
Guest Editor
Department of Cell and Molecular Biology Biomedical Center, Uppsala University, SE 759 21 Uppsala, Sweden
Interests: adenosine receptors; computer-aided drug design; free-energy calculations; G protein-coupled receptors; molecular dynamics

Special Issue Information

Dear Colleagues,

The 7th RSC/SCI Symposium on GPCRs in Medicinal Chemistry will be held in Verona, Italy, 10–12 September, 2018, and it will provide a unified communication platform for both academic and industrial researchers within the field of drug discovery topics on G protein-coupled receptors (GPCRs). The key role of GPCRs in human disease underpins their importance to modern medicine, and indeed the symposium joins together a number of pharmaceutical companies, as well as leading academic groups in the area, which will combine cutting edge medicinal chemistry with innovative structural biology and novel drug design approaches.

This Special Issue on “Selected Papers from 7th RSC/SCI Symposium on GPCRs in Medicinal Chemistry” is expected to select excellent papers presented at “7th RSC/SCI Symposium on GPCRs in Medicinal Chemistry” regarding the development of GPCR drug discovery. The main goal of this Special Issue is to collect the cutting-edge scientific knowledge relevant to drug design on a wide range of GPCRs. We invite investigators interested in this area to contribute their original research articles to this Special Issue. Potential topics include, but are not limited to, the following:

  • Structural biology of GPCRs
  • Novel medicinal chemistry approaches in drug discovery of GPCR modulators
  • Computational method and molecular simulations in hit identification and ligand design
  • Pharmacological characterization of chemical modulators, including allosteric or biased ligands

Dr. Hugo Gutiérrez de Terán
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Applied Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • GPCRs
  • structure-based ligand design
  • allosteric modulation
  • biased signaling
  • computer-aided ligand design

Published Papers (1 paper)

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Research

19 pages, 7229 KiB  
Article
A Comparison in the Use of the Crystallographic Structure of the Human A1 or the A2A Adenosine Receptors as a Template for the Construction of a Homology Model of the A3 Subtype
by Enrico Margiotta and Stefano Moro
Appl. Sci. 2019, 9(5), 821; https://doi.org/10.3390/app9050821 - 26 Feb 2019
Cited by 7 | Viewed by 2987
Abstract
In the last decades, the field of therapeutic application in targeting the human A3 adenosine receptor has represented a rapidly growing area of research in adenosine field. Both agonists and antagonists have been described to have a potential application in the treatment [...] Read more.
In the last decades, the field of therapeutic application in targeting the human A3 adenosine receptor has represented a rapidly growing area of research in adenosine field. Both agonists and antagonists have been described to have a potential application in the treatment of several diseases, including, for example, glaucoma, cancer, and autoimmune inflammations. To date, the most severe factor limiting the accuracy of the structure-based molecular modeling approaches is the fact that the three-dimensional human A3 structure has not yet been solved. However, the crystallographic structures of either human A1 or A2A subtypes are available as potential templates for the construction of its homology model. In this study, we have compared the propensity of both models to accommodate a series of known potent and selective human A3 agonists and antagonists. As described, on the basis of the results obtained from this preliminary study, it is possible to affirm that the human A3 receptor model based on the crystallographic structure of the A1 subtype can represent a valid alternative to the one conventionally used today, based on the available A2A structures. Full article
(This article belongs to the Special Issue Selected Papers from 7th RSC/SCI Symposium on GPCRs in Medicinal Chemistry)
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