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Novel Natural and Derivative Products: Synthesis and Pharmacological Potential II

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

Deadline for manuscript submissions: closed (31 October 2023) | Viewed by 1645

Special Issue Editors


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Guest Editor
Chemical Department NI Pirogov Russian National Research Medical University, Moscow, Russia
Interests: biological activity; organic and medicinal chemistry; pharmacology; neurodegenerative disorders
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Department of Medicinal Chemistry and Chemical Department, Research Institute of Translational Medicine, N.I. Pirogov Russian National Research Medical University, Moscow, Russia
Interests: stereodynamic behavior; dynamic stereochemistry; NMR investigation; medicinal chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Nature contains many compounds with biologically active properties, and scientists have created many ways to improve upon them. This Issue is devoted to the identification of derivatives of natural substances using modern technologies, as well as their modification by the inclusion functional groups in their structures to achieve specific physicochemical properties and biological activities.

Neurological disorders are one of the main sources of premature mortality, ranking second after cardiovascular diseases, and have become the absolute leaders in terms of the percentage of temporary or permanent disability among survivors. As the prevalence of most neurological disorders increases with age, this burden is expected to increase in countries with aging populations, despite the significant progress that has been made in stroke prevention. During the 2020 pandemic, the defeat of the central nervous system also began to play an important role in the clinical picture and severity of COVID-19 infection. Degenerative changes in the cerebral cortex of convalescents have been described to persist for more than 5 months and have serious cognitive consequences, as well as concomitant depressive states, against the background of inflammatory processes.

The epidemiology of infection predicts that there wll be an increased demand for therapeutic approaches to treat both elderly patients and the younger working population.

In this Issue, particular attention will be paid to bioactive compounds for the treatment of neurodegenerative diseases and the development of new antiviral and anti-inflammatory drugs. The compounds obtained from natural sources and synthesized under laboratory conditions will be considered in the context of in silico technologies’ application, along with in vitro and in vivo experiments. The results should include modern methods of physicochemical analysis, such as IR, UV, multinuclear NMR, HPLC, GC-MS, computer approaches of studying the structure–biological activity relationship, and biological methods confirming their activity in in vitro and in vivo models.

Thus, the relevance of this Special Issue, dedicated to the identification, synthesis, prediction, and verification of the pharmacological activity of natural and semi-synthetic compounds, is beyond doubt. In this regard, I would be glad if you agreed to submit an original research paper, short message, or overview to this Issue.

Prof. Dr. Yuri Baukov
Dr. Vadim V. Negrebetsky
Guest 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 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

  • natural compounds and their synthetic derivatives
  • medicinal chemistry
  • structure–activity relationships
  • inflammatory processes
  • neurodegenerative disorders
  • viral infections
  • cognitive impairment
  • antimicrobial agents
  • pharmaco-toxicological activities

Related Special Issue

Published Papers (2 papers)

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Research

19 pages, 4104 KiB  
Article
New Dual Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 and 2 Based on Deoxycholic Acid: Design, Synthesis, Cytotoxicity, and Molecular Modeling
by Oksana V. Salomatina, Tatyana E. Kornienko, Alexandra L. Zakharenko, Nina I. Komarova, Chigozie Achara, Jóhannes Reynisson, Nariman F. Salakhutdinov, Olga I. Lavrik and Konstantin P. Volcho
Molecules 2024, 29(3), 581; https://doi.org/10.3390/molecules29030581 - 24 Jan 2024
Viewed by 737
Abstract
Deoxycholic acid derivatives containing various heterocyclic functional groups at C-3 on the steroid scaffold were designed and synthesized as promising dual tyrosyl-DNA phosphodiesterase 1 and 2 (TDP1 and TDP2) inhibitors, which are potential targets to potentiate topoisomerase poison antitumor therapy. The methyl esters [...] Read more.
Deoxycholic acid derivatives containing various heterocyclic functional groups at C-3 on the steroid scaffold were designed and synthesized as promising dual tyrosyl-DNA phosphodiesterase 1 and 2 (TDP1 and TDP2) inhibitors, which are potential targets to potentiate topoisomerase poison antitumor therapy. The methyl esters of DCA derivatives with benzothiazole or benzimidazole moieties at C-3 demonstrated promising inhibitory activity in vitro against TDP1 with IC50 values in the submicromolar range. Furthermore, methyl esters 4de, as well as their acid counterparts 3de, inhibited the phosphodiesterase activity of both TDP1 and TDP2. The combinations of compounds 3de and 4de with low-toxic concentrations of antitumor drugs topotecan and etoposide showed significantly greater cytotoxicity than the compounds alone. The docking of the derivatives into the binding sites of TDP1 and TDP2 predicted plausible binding modes of the DCA derivatives. Full article
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21 pages, 2165 KiB  
Article
A New Stereoselective Approach to the Substitution of Allyl Hydroxy Group in para-Mentha-1,2-diol in the Search for New Antiparkinsonian Agents
by Alexandra V. Podturkina, Oleg V. Ardashov, Konstantin P. Volcho and Nariman F. Salakhutdinov
Molecules 2023, 28(21), 7303; https://doi.org/10.3390/molecules28217303 - 27 Oct 2023
Viewed by 638
Abstract
Two approaches to the synthesis of para-menthene epoxide ((1S,5S,6R)-4) are developed. The first approach includes a reaction between chlorohydrin 7 and NaH in THF. The second involves the formation of epoxide in the [...] Read more.
Two approaches to the synthesis of para-menthene epoxide ((1S,5S,6R)-4) are developed. The first approach includes a reaction between chlorohydrin 7 and NaH in THF. The second involves the formation of epoxide in the reaction of corresponding diacetate 6 with sodium tert-butoxide. One possible mechanism of this reaction is proposed to explain unexpected outcomes in the regio- and stereospecificity of epoxide (1S,5S,6R)-4 formation. The epoxide ring in (1S,5S,6R)-4 is then opened by various S- and O-nucleophiles. This series of reactions allows for the stereoselective synthesis of diverse derivatives of the monoterpenoid Prottremine 1, a compound known for its antiparkinsonian activity, including promising antiparkinsonian properties. Full article
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