Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
7.4
4.2
Journals
Molecules
Special Issues
Strategies of Molecular Targeting in Research of Neglected Tropical Diseases...
molecules-logo
Submit to Molecules Review for Molecules Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Strategies of Molecular Targeting in Research of Neglected Tropical Diseases with Chemical Compounds or Agents

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (28 February 2025) | Viewed by 4873

Special Issue Editor

Prof. Dr. Annette Kaiser

E-Mail Website
Guest Editor
Medical Research Centre, University Duisburg-Essen, Hufelandstr. 55, Essen, Germany
Interests: posttranslational modifications; drug discovery for neglected tropical diseases; cAMP-regulated pathways in apicomplexan parasites and kinetoplastids
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The eradication of neglected tropical diseases is a major problem, since their life cycle is complex and they can remain latent within the human host. The discovery of novel drugs is scarce since the pharmaceutical industry focuses on the treatment of chronic diseases.

A pharmacological intervention against the increasing drug resistance of these parasites can only be achieved by a combined action of a vaccine or agents of longevity and novel molecularly targeted research. Such molecular research on antiparasitic agents involves either small molecules or drugs that inhibit essential pathways for the survival of the parasite, or cytotoxic compounds which are delivered to the proliferating parasites. Finding alternative methods of molecular targeting through research will also be useful in improving immunity to prevent the spreading of infections.

Finding novel therapeutic indications for already approved drugs is one of the possible strategies in the search for novel medicines. A few antiparasitic drugs and/or their derivatives are proving to be useful in the treatment of autoimmune diseases, tuberculosis, or cancer.

In contrast, some anticancer drugs have the potential to eradicate parasites. This particular Special Issue focuses on chemical drugs or agents in parasite research that contribute to molecularly targeted therapies used to combat neglected tropical diseases.

Prof. Dr. Annette Kaiser
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. Molecules 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 2700 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

  • molecularly targeted research
  • small molecules, including the repurposing of registered drugs to interrupt essential signalling pathways in Plasmodium
  • pharmacological compounds to strengthen or inactivate human host immune responses which are critical for the progression of malaria
  • inhibitors blocking essential growth factors in Plasmodium

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (3 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

18 pages, 5312 KiB  
Article
Phytochemical Characterization of Hibiscus tiliaceus L. Leaves and Evaluation of Their Antisickling, Antioxidant, and Anti-Inflammatory Activities
by Marguerite Borive Amani, Michel Frederich, Olivia Jansen, Olivier Bonnet, Allison Ledoux, Patrick B. Memvanga, Salomon Batina Agasa, Ange Mouithys-Mickalad and Roland Marini Djang’eing’a
Molecules 2025, 30(8), 1765; https://doi.org/10.3390/molecules30081765 - 15 Apr 2025
Viewed by 367
Abstract
Sickle cell disease (SCD) is a neglected tropical disease (NTD) associated with severe health consequences, including death. Hibiscus tiliaceus L., from the Malvaceae family, is used traditionally in Kisangani, Democratic Republic of the Congo (DRC), to alleviate symptoms of SCD. However, the specific [...] Read more.
Sickle cell disease (SCD) is a neglected tropical disease (NTD) associated with severe health consequences, including death. Hibiscus tiliaceus L., from the Malvaceae family, is used traditionally in Kisangani, Democratic Republic of the Congo (DRC), to alleviate symptoms of SCD. However, the specific phytochemicals responsible for the observed therapeutic effects remain unclear. This study aims to characterize the aqueous leaf extract of H. tiliaceus and assess its biological activity against sickle cell disease, including its antisickling, antioxidant, and anti-inflammatory effects. Using techniques such as TLC, HPLC-UV/DAD, LC-MS, and NMR, we identified kaempferol 3-O-rutinoside and rutin in the aqueous extract of H. tiliaceus leaves. Rutin exhibited potent antioxidant and anti-inflammatory activities, with IC50 values of 5 µg/mL and 2.5 µg/mL, respectively. Conversely, kaempferol 3-O-rutinoside demonstrated superior antisickling activity, normalizing sickled red blood cells with an IC50 < 12.5 µg/mL. Due to the pathophysiology of SCD, which involves the polymerization of red blood cells, which induces oxidative stress and an inflammatory response, this study suggests the importance of H. tiliaceus for the management of SCD. Additionally, the combined effect of molecules in H. tiliaceus will help in normalizing erythrocytes, inhibiting free radicals generated by early hemolysis, thus contributing to inflammatory processes reduction. This finding provides evidence and validates the traditional use of H. tiliaceus aqueous extract for the management of SCD. Full article
(This article belongs to the Special Issue Strategies of Molecular Targeting in Research of Neglected Tropical Diseases with Chemical Compounds or Agents)
►▼ Show Figures

Figure 1

24 pages, 14919 KiB  
Article
Structure-Aided Computational Design of Triazole-Based Targeted Covalent Inhibitors of Cruzipain
by Juan Pablo Cerutti, Lucas Abreu Diniz, Viviane Corrêa Santos, Salomé Catalina Vilchez Larrea, Guillermo Daniel Alonso, Rafaela Salgado Ferreira, Wim Dehaen and Mario Alfredo Quevedo
Molecules 2024, 29(17), 4224; https://doi.org/10.3390/molecules29174224 - 5 Sep 2024
Cited by 3 | Viewed by 2292
Abstract
Cruzipain (CZP), the major cysteine protease present in T. cruzi, the ethiological agent of Chagas disease, has attracted particular attention as a therapeutic target for the development of targeted covalent inhibitors (TCI). The vast chemical space associated with the enormous molecular diversity [...] Read more.
Cruzipain (CZP), the major cysteine protease present in T. cruzi, the ethiological agent of Chagas disease, has attracted particular attention as a therapeutic target for the development of targeted covalent inhibitors (TCI). The vast chemical space associated with the enormous molecular diversity feasible to explore by means of modern synthetic approaches allows the design of CZP inhibitors capable of exhibiting not only an efficient enzyme inhibition but also an adequate translation to anti-T. cruzi activity. In this work, a computer-aided design strategy was developed to combinatorially construct and screen large libraries of 1,4-disubstituted 1,2,3-triazole analogues, further identifying a selected set of candidates for advancement towards synthetic and biological activity evaluation stages. In this way, a virtual molecular library comprising more than 75 thousand diverse and synthetically feasible analogues was studied by means of molecular docking and molecular dynamic simulations in the search of potential TCI of CZP, guiding the synthetic efforts towards a subset of 48 candidates. These were synthesized by applying a Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) centered synthetic scheme, resulting in moderate to good yields and leading to the identification of 12 hits selectively inhibiting CZP activity with IC50 in the low micromolar range. Furthermore, four triazole derivatives showed good anti-T. cruzi inhibition when studied at 50 μM; and Ald-6 excelled for its high antitrypanocidal activity and low cytotoxicity, exhibiting complete in vitro biological activity translation from CZP to T. cruzi. Overall, not only Ald-6 merits further advancement to preclinical in vivo studies, but these findings also shed light on a valuable chemical space where molecular diversity might be explored in the search for efficient triazole-based antichagasic agents. Full article
(This article belongs to the Special Issue Strategies of Molecular Targeting in Research of Neglected Tropical Diseases with Chemical Compounds or Agents)
►▼ Show Figures

Figure 1

20 pages, 7887 KiB  
Article
Participation of Oxidative Stress in the Activity of Compounds Isolated from Eleutherine plicata Herb
by Antônio Rafael Quadros Gomes, Jorddy Neves Cruz, Ana Laura Gadelha Castro, Heliton Patrick Cordovil Brigido, Everton Luiz Pompeu Varela, Valdicley Vieira Vale, Liliane Almeida Carneiro, Gleison Gonçalves Ferreira, Sandro Percario and Maria Fâni Dolabela
Molecules 2023, 28(14), 5557; https://doi.org/10.3390/molecules28145557 - 20 Jul 2023
Cited by 7 | Viewed by 1531
Abstract
From Eleutherine plicata, naphthoquinones, isoeleutherine, and eleutherol were isolated, and previous studies have reported the antioxidant activity of these metabolites. The present work evaluated the role of oxidative changes in mice infected with Plasmodium berghei and treated with E. plicata extract, fraction, [...] Read more.
From Eleutherine plicata, naphthoquinones, isoeleutherine, and eleutherol were isolated, and previous studies have reported the antioxidant activity of these metabolites. The present work evaluated the role of oxidative changes in mice infected with Plasmodium berghei and treated with E. plicata extract, fraction, and isolated compounds, as well as to verify possible oxidative changes induced by these treatments. E. plicata extracts were prepared from powder from the bulbs, which were submitted to maceration with ethanol, yielding the extract (EEEp), which was fractionated under reflux, and the dichloromethane fraction (FDMEp) was submitted for further fractionation, leading to the isolation of isoeleutherine, eleutherine, and eleutherol. The antimalarial activity was examined using the suppressive test, evaluating the following parameters of oxidative stress: trolox equivalent antioxidant capacity (TEAC), thiobarbituric acid reactive substances (TBARS), and reduced glutathione (GSH). Furthermore, the molecular docking of naphthoquinones, eleutherol, eleutherine, and isoeleutherine interactions with antioxidant defense enzymes was investigated, which was favorable for the formation of the receptor–ligand complex, according to the re-rank score values. Eleutherine and isoeleutherine are the ones with the lowest binding energy for catalase (CAT), glutathione reductase (GR), and glutathione peroxidase (GPx1), showing themselves as possible targets of these molecules in the involvement of redox balance. Data from the present study showed that treatments with E. plicata stimulated an increase in antioxidant capacity and a reduction in oxidative stress in mice infected with P. berghei, with naphthoquinones being responsible for reducing oxidative changes and disease severity. Full article
(This article belongs to the Special Issue Strategies of Molecular Targeting in Research of Neglected Tropical Diseases with Chemical Compounds or Agents)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-3
Back to TopTop