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Natural Bioactive Compounds: Design, Synthesis and Characterization

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A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".

Deadline for manuscript submissions: closed (30 June 2023) | Viewed by 7644

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Dr. Simone Ronsisvalle

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Department of Drug Science, University of Catania, 95124 Catania, CT, Italy
Interests: pharmaceutical chemistry; molecular modeling; analytical chemistry; characterization of natural extracts; identification of pollutants; UPLC-MS/MS; chronic pain; opioid system

Special Issue Information

Dear Colleagues,

Pharmaceutical research is filled with examples where natural products have proven a healing effect on the human body. Natural products can be used as a source of bioactive compounds or as a cue for the identification of novel drugs. Unfortunately, this field is not without problems regarding the supply of natural products, or the identification of bioactive compounds that may be potential drugs. Through improved analytical techniques we may be able to overcome these issues and enforce natural products as an important drug discovery resource.

This Special Issue focuses on studies aimed at the discovery of bioactive compounds from natural products, the biochemical testing of natural products, and analytical techniques for identifying compounds in natural products. It is not suitable for clinical studies, but it is possible to submit clinical studies that have supporting biochemical and biomolecular tests. Substances without clear ingredients, such as complex prescriptions, crude extracts, and herbal mixtures, will not be considered.

Dr. Simone Ronsisvalle
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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 products
drug discovery
bioactive compounds
pharmaceutical chemistry
analytical chemistry

Published Papers (4 papers)

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Research

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14 pages, 5265 KiB

Open AccessArticle

Resveratrol May Reduce the Degree of Periodontitis by Regulating ERK Pathway in Gingival-Derived MSCs

by Han Jiang, Jia Ni, Longshuang Hu, Zichao Xiang, Jincheng Zeng, Jiejun Shi, Qianming Chen and Wen Li

Int. J. Mol. Sci. 2023, 24(14), 11294; https://doi.org/10.3390/ijms241411294 - 10 Jul 2023

Cited by 3 | Viewed by 1632

Abstract

Gingival-derived mesenchymal stem cells (GMSCs) have strong self-renewal, multilineage differentiation, and immunomodulatory properties and are expected to be applied in anti-inflammatory and tissue regeneration. However, achieving the goal of using endogenous stem cells to treat diseases and even regenerate tissues remains a challenge. Resveratrol is a natural compound with multiple biological activities that can regulate stem cell immunomodulation when acting on them. This study found that resveratrol can reduce inflammation in human gingival tissue and upregulate the stemness of GMSCs in human gingiva. In cell experiments, it was found that resveratrol can reduce the expression of TLR4, TNFα, and NFκB and activate ERK/Wnt crosstalk, thereby alleviating inflammation, promoting the proliferation and osteogenic differentiation ability of GMSCs, and enhancing their immunomodulation. These results provide a new theoretical basis for the application of resveratrol to activate endogenous stem cells in the treatment of diseases in the future. Full article

(This article belongs to the Special Issue Natural Bioactive Compounds: Design, Synthesis and Characterization)

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31 pages, 2116 KiB

Open AccessArticle

α,ω-Diacyl-Substituted Analogues of Natural and Unnatural Polyamines: Identification of Potent Bactericides That Selectively Target Bacterial Membranes

by Dan Chen, Melissa M. Cadelis, Florent Rouvier, Thomas Troia, Liam R. Edmeades, Kyle Fraser, Evangelene S. Gill, Marie-Lise Bourguet-Kondracki, Jean Michel Brunel and Brent R. Copp

Int. J. Mol. Sci. 2023, 24(6), 5882; https://doi.org/10.3390/ijms24065882 - 20 Mar 2023

Cited by 6 | Viewed by 1510

Abstract

In this study, α-ω-disubstituted polyamines exhibit a range of potentially useful biological activities, including antimicrobial and antibiotic potentiation properties. We have prepared an expanded set of diarylbis(thioureido)polyamines that vary in central polyamine core length, identifying analogues with potent methicillin-resistant Staphylococcus aureus (MRSA), Escherichia coli, Acinetobacter baumannii and Candida albicans growth inhibition properties, in addition to the ability to enhance action of doxycycline towards Gram-negative bacterium Pseudomonas aeruginosa. The observation of associated cytotoxicity/hemolytic properties prompted synthesis of an alternative series of diacylpolyamines that explored aromatic head groups of varying lipophilicity. Examples bearing terminal groups each containing two phenyl rings (15a–f, 16a–f) were found to have optimal intrinsic antimicrobial properties, with MRSA being the most susceptible organism. A lack of observed cytotoxicity or hemolytic properties for all but the longest polyamine chain variants identified these as non-toxic Gram-positive antimicrobials worthy of further study. Analogues bearing either one or three aromatic-ring-containing head groups were either generally devoid of antimicrobial properties (one ring) or cytotoxic/hemolytic (three rings), defining a rather narrow range of head group lipophilicity that affords selectivity for Gram-positive bacterial membranes versus mammalian. Analogue 15d is bactericidal and targets the Gram-positive bacterial membrane. Full article

(This article belongs to the Special Issue Natural Bioactive Compounds: Design, Synthesis and Characterization)

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17 pages, 2606 KiB

Open AccessArticle

Identification of New Purpuroine Analogues from the Arctic Echinodermata Pteraster militaris That Inhibit FLT3-ITD⁺ AML Cell Lines

by Sara Ullsten, Guillaume A. Petit, Johan Isaksson, Ida K. Ø. Hansen, Yannik K.-H. Schneider, Marte Jenssen, Chun Li and Kine Ø. Hansen

Int. J. Mol. Sci. 2022, 23(24), 15852; https://doi.org/10.3390/ijms232415852 - 13 Dec 2022

Viewed by 1756

Abstract

Isolation of bioactive products from the marine environment is considered a very promising approach to identify new compounds that can be used for further drug development. In this work we have isolated three new compounds from the purpuroine family by mass-guided preparative HPLC; purpuroine K-M. These compounds where screened for antibacterial- and antifungal activity, antibiofilm formation and anti-cell proliferation activity. Additionally, apoptosis-, cell cycle-, kinase binding- and docking studies were performed to evaluate the mechanism-of-action. None of the compounds showed activity in antibacterial-, antibiofilm- or antifungal assays. However, one of the isolated compounds, purpuroine K, showed activity against two cell lines, MV-4-11 and MOLM-13, two AML cell lines both carrying the FTL3-ITD mutation. In MV-4-11 cells, purpuroine K was found to increase apoptosis and arrest cells cycle in G1/G0, which is a common feature of FLT3 inhibitors. Interactions between purpuroine K and the FLT3 wild type or FLT3 ITD mutant proteins could however not be elucidated in our kinase binding and docking studies. In conclusion, we have isolated three novel molecules, purpuroine K-M, one of which (purpuroine K) shows a potent activity against FLT3-ITD mutated AML cell lines, however, the molecular target(s) of purpuroine K still need to be further investigated. Full article

(This article belongs to the Special Issue Natural Bioactive Compounds: Design, Synthesis and Characterization)

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Review

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22 pages, 5578 KiB

Open AccessReview

Lichen-Derived Actinomycetota: Novel Taxa and Bioactive Metabolites

by Qingrong Yang, Zhiqiang Song, Xinpeng Li, Yage Hou, Tangchang Xu and Shaohua Wu

Int. J. Mol. Sci. 2023, 24(8), 7341; https://doi.org/10.3390/ijms24087341 - 16 Apr 2023

Cited by 2 | Viewed by 2146

Abstract

Actinomycetes are essential sources of numerous bioactive secondary metabolites with diverse chemical and bioactive properties. Lichen ecosystems have piqued the interest of the research community due to their distinct characteristics. Lichen is a symbiont of fungi and algae or cyanobacteria. This review focuses on the novel taxa and diverse bioactive secondary metabolites identified between 1995 and 2022 from cultivable actinomycetota associated with lichens. A total of 25 novel actinomycetota species were reported following studies of lichens. The chemical structures and biological activities of 114 compounds derived from the lichen-associated actinomycetota are also summarized. These secondary metabolites were classified into aromatic amides and amines, diketopiperazines, furanones, indole, isoflavonoids, linear esters and macrolides, peptides, phenolic derivatives, pyridine derivatives, pyrrole derivatives, quinones, and sterols. Their biological activities included anti-inflammatory, antimicrobial, anticancer, cytotoxic, and enzyme-inhibitory actions. In addition, the biosynthetic pathways of several potent bioactive compounds are summarized. Thus, lichen actinomycetes demonstrate exceptional abilities in the discovery of new drug candidates. Full article

(This article belongs to the Special Issue Natural Bioactive Compounds: Design, Synthesis and Characterization)

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