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Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes (Closed)

A topical collection in Molecules (ISSN 1420-3049). This collection belongs to the section "Medicinal Chemistry".

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Editors

Laboratory of Medicinal Chemistry, Faculty of Pharmacy and Food Sciences, Institute of Biomedicine (IBUB), University of Barcelona, Avenue Joan XXIII, 27-31, E-08028 Barcelona, Spain
Interests: multitarget anti-Alzheimer agents; hybrid compounds; cholinesterase inhibitors; amyloid anti-aggregating compounds; BACE-1 inhibitors; antiprotozoan compounds
Special Issues, Collections and Topics in MDPI journals
Instituto de Investigación Sanitaria, Servicio de Farmacología Clínica, Hospital Universitario de la Princesa, 28006 Madrid, Spain
Interests: design and synthesis of innovative drugs; phosphatase enzymes up-regulators; modulation of the cell calcium signal; purinergic receptors antagonists
Special Issues, Collections and Topics in MDPI journals

Topical Collection Information

Dear Colleagues,

In May 2017, the ‘’Medicinal Chemistry’’ section of Molecules launched the series of Editorials Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes [1], which are published on a biannual basis. In these editorials, the section Editorial Board highlight in brief reports (of about one hundred words) selected recent articles from all publishers that describe groundbreaking findings, such as the discovery of novel drug targets and mechanisms of action or novel classes of drugs, which are expected to inspire future medicinal chemistry endeavors devoted to addressing prime unmet medical needs. Encouraged by the acceptance of this series of editorials, and in a further effort to improve our services for the medicinal chemistry community, we have decided to go beyond the brief highlights of the editorials by setting up a parallel topical collection, with the same name. The topical collection will consist of a series of Special Issues to be published annually, which will collect provoking Comments, Opinions, Perspectives, Reviews, and Original Research Articles that focus on the hot topics that have been highlighted in the two previously published editorials. These regular longer-form contributions will elaborate on the background of the hot topics selected in the editorials, to better outline the high potential of these works and shape future medicinal chemistry and drug discovery strategies. Thus, this topical collection will be a unique platform to increase awareness, in a timely manner, of the current greatest challenges and most promising discoveries in the medicinal chemistry and drug discovery field.

  1. Muñoz-Torrero, D.; Mangoni, A. A.; Guillou, C.; Collina, S.; Vanden Eynde, J. J.; Rautio, J.; Keseru, G. M.; Hulme, C.; Chibale, K.; Luque, F. J.; Karaman, R.; Gütschow, M.; Liu, H.; Ragno, R. Breakthroughs in Medicinal Chemistry: New targets and mechanisms, new drugs, new hopes. Molecules 2017, 22, 743.

Prof. Dr. Diego Muñoz-Torrero
Dr. Cristobal De Los Rios
Collection Editors

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 collection 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.

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Related Special Issue

Published Papers (7 papers)

2021

Jump to: 2019, 2018, 2017

15 pages, 4387 KiB  
Article
Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
by Mateusz Daśko, Anna Dołęga, Magdalena Siedzielnik, Karol Biernacki, Olga Ciupak, Janusz Rachon and Sebastian Demkowicz
Molecules 2021, 26(13), 4059; https://doi.org/10.3390/molecules26134059 - 02 Jul 2021
Cited by 2 | Viewed by 2049
Abstract
Herein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6ae, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all [...] Read more.
Herein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6ae, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate the Hirshfeld surfaces for each of the synthesized compounds. Furthermore, results of our docking studies indicated that synthesized derivatives are able to bind effectively to the active sites of selected enzymes and receptors involved in the hormone biosynthesis and signaling pathways, analogously to the native steroids. Full article
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10 pages, 4109 KiB  
Article
Insight into the Reaction of Alexidine with Sodium Hypochlorite: A Potential Error in Endodontic Treatment
by Barbara Czopik, Monika Ciechomska, Joanna Zarzecka, Maciej Góra and Michał Woźniakiewicz
Molecules 2021, 26(6), 1623; https://doi.org/10.3390/molecules26061623 - 15 Mar 2021
Cited by 5 | Viewed by 2204
Abstract
Therapeutic success in endodontic treatment depends on successful infection control. Alexidine dihydrochloride (ALX) was recently proposed as a potential alternative to 2% chlorhexidine (CHX) as it possesses similar antimicrobial properties, expresses substantivity and does not produce p-chloroaniline (PCA) when mixed with sodium hypochlorite [...] Read more.
Therapeutic success in endodontic treatment depends on successful infection control. Alexidine dihydrochloride (ALX) was recently proposed as a potential alternative to 2% chlorhexidine (CHX) as it possesses similar antimicrobial properties, expresses substantivity and does not produce p-chloroaniline (PCA) when mixed with sodium hypochlorite (NaOCl). However, the products released in this reaction have not been described to date. The aim of this study was to identify detected chemical compounds formed in the reaction of ALX and NaOCl with the ultra-high-performance liquid chromatography–mass spectrophotometry (UHPLC-MS) method and assess whether precipitates and PCA are formed in this reaction. Solutions of ALX were mixed with the equivalent volume of 2% and 5.25% (w/v) NaOCl solutions. As control, 2% (w/v) CHX was mixed with 2% and 5.25% (w/v) NaOCl. Samples were subjected to the UHPLC-MS analysis. The mixture of ALX and NaOCl resulted in a yellowish precipitate formation, the amount of which depended on NaOCl concentration. Interaction of ALX and NaOCl resulted in the production of aliphatic amines. No PCA was formed when NaOCl was mixed with ALX. However, for the first time, we identified the possible products of the interaction. The interaction between NaOCl and ALX results in the formation of aliphatic amines; therefore, these compounds should not be mixed during endodontic treatment. Full article
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2019

Jump to: 2021, 2018, 2017

14 pages, 798 KiB  
Editorial
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–5
by Arduino A. Mangoni, Jean Jacques Vanden Eynde, Josef Jampilek, Dimitra Hadjipavlou-Litina, Hong Liu, Jóhannes Reynisson, Maria Emília Sousa, Paula A. C. Gomes, Katalin Prokai-Tatrai, Tiziano Tuccinardi, Jean-Marc Sabatier, F. Javier Luque, Jarkko Rautio, Rafik Karaman, M. Helena Vasconcelos, Sandra Gemma, Stefania Galdiero, Christopher Hulme, Simona Collina, Michael Gütschow, George Kokotos, Carlo Siciliano, Raffaele Capasso, Luigi A. Agrofoglio, Rino Ragno and Diego Muñoz-Torreroadd Show full author list remove Hide full author list
Molecules 2019, 24(13), 2415; https://doi.org/10.3390/molecules24132415 - 30 Jun 2019
Cited by 3 | Viewed by 5927
Abstract
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of Editorials which is published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal Molecules [...] Full article
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2018

Jump to: 2021, 2019, 2017

12 pages, 283 KiB  
Editorial
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–4
by Arduino A Mangoni, Catherine Guillou, Jean Jacques Vanden Eynde, Christopher Hulme, Josef Jampilek, Wei Li, Katalin Prokai-Tatrai, Jarkko Rautio, Simona Collina, Tiziano Tuccinardi, Maria Emília Sousa, Jean-Marc Sabatier, Stefania Galdiero, Rafik Karaman, George Kokotos, Giangiacomo Torri, F. Javier Luque, M. Helena Vasconcelos, Dimitra Hadjipavlou-Litina, Carlo Siciliano, Michael Gütschow, Rino Ragno, Paula A. C. Gomes, Luigi A. Agrofoglio and Diego Muñoz-Torreroadd Show full author list remove Hide full author list
Molecules 2019, 24(1), 130; https://doi.org/10.3390/molecules24010130 - 31 Dec 2018
Cited by 6 | Viewed by 6322
Abstract
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of Editorials, which is published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal Molecules. [...] Full article
10 pages, 582 KiB  
Editorial
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-3
by Arduino A. Mangoni, Tiziano Tuccinardi, Simona Collina, Jean Jacques Vanden Eynde, Diego Muñoz-Torrero, Rafik Karaman, Carlo Siciliano, Maria Emília De Sousa, Katalin Prokai-Tatrai, Jarkko Rautio, Catherine Guillou, Michael Gütschow, Stefania Galdiero, Hong Liu, Luigi A. Agrofoglio, Jean-Marc Sabatier, Christopher Hulme, George Kokotos, Qidong You and Paula A. C. Gomes
Molecules 2018, 23(7), 1596; https://doi.org/10.3390/molecules23071596 - 30 Jun 2018
Cited by 2 | Viewed by 5554 Show Figures

Figure 1

2017

Jump to: 2021, 2019, 2018

256 KiB  
Editorial
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–2
by Diego Muñoz-Torrero, Arduino A. Mangoni, Hong Liu, Christopher Hulme, Jarkko Rautio, Rafik Karaman, Maria Emília De Sousa, Katalin Prokai-Tatrai, Jean-Marc Sabatier, Carlo Siciliano, F. Javier Luque, George Kokotos, Rino Ragno, Simona Collina, Catherine Guillou, Michael Gütschow and Luigi A. Agrofoglio
Molecules 2018, 23(1), 65; https://doi.org/10.3390/molecules23010065 - 28 Dec 2017
Cited by 2 | Viewed by 5290
Abstract
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of Editorials, which are published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal Molecules [...]
Full article
184 KiB  
Editorial
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes
by Diego Muñoz-Torrero, Arduino A. Mangoni, Catherine Guillou, Simona Collina, Jean Jacques Vanden Eynde, Jarkko Rautio, György M. Keserű, Christopher Hulme, Kelly Chibale, F. Javier Luque, Rafik Karaman, Michael Gütschow, Hong Liu and Rino Ragno
Molecules 2017, 22(5), 743; https://doi.org/10.3390/molecules22050743 - 05 May 2017
Cited by 3 | Viewed by 6377
Abstract
The Editorial Board of the Medicinal Chemistry section of the journal Molecules publishes here its first Editorial, which has been prepared by highlighting, in sub-editorials of about one hundred words, some selected recently published articles that may have a profound impact on [...] Read more.
The Editorial Board of the Medicinal Chemistry section of the journal Molecules publishes here its first Editorial, which has been prepared by highlighting, in sub-editorials of about one hundred words, some selected recently published articles that may have a profound impact on drug discovery and therapy.[...] Full article
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