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Extraction, Identification and Quantification of Bioactive Molecules

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

Deadline for manuscript submissions: 20 October 2025 | Viewed by 2451

Special Issue Editors


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Guest Editor
Department of Medical and Surgical Science, University Magna Graecia, 88100 Catanzaro, Italy
Interests: bioactive molecules; pharmacogenetics; pediatrics; genomics; drug
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Department of Medical and Surgical Sciences, University “Magna Græcia” of Catanzaro, 88100 Catanzaro, Italy
Interests: hypercholesterolemia; diabetes; osteoporosis; nafld; mediterranean diet; liposomes; nanoparticles

Special Issue Information

Dear Colleagues,

Although scientific and technological progress led to the identification of countless bioactive molecules, every day new compounds potentially active on biological compartments are identified. This Special Issue collects all the innovations that concern the different bioactive molecules, from the multiple extraction processes that allow their isolation from countless matrices, to their chemical-physical characterization, through accurate quantification and analysis methods that allow to outline their biological activity.

Proposals should emphasize cutting-edge techniques for the efficient extraction of bioactive molecules from diverse biological matrices, such as plants, microorganisms, or marine organisms. Manuscripts should describe in detail the identification and structural characterization of these compounds, employing cutting-edge analytical tools such as high-resolution mass spectrometry, nuclear magnetic resonance (NMR) spectroscopy, or advanced chromatographic methods. Quantitative analyses should be thorough, offering precise and reproducible methods that adhere to rigorous validation protocols. The biological activity of identified molecules should be elucidated, with potential implications for therapeutic, nutraceutical, or agricultural applications clearly articulated. Authors should ensure full methodological transparency, including statistical analysis, to facilitate reproducibility and scientific rigor. The broader significance of the results, including potential health or industry impacts, may also be discussed.

Dr. Francesca Scionti
Dr. Rosario Mare
Guest Editors

Manuscript Submission Information

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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.

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Keywords

  • extracts
  • botanicals
  • nutraceuticals
  • bioactive molecules
  • spectrometry
  • spectrophotometer
  • chromatography
  • western blotting
  • molecular mechanisms

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Published Papers (2 papers)

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Research

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12 pages, 2424 KiB  
Article
Comparison of Quantification Using UV-Vis, NMR, and HPLC Methods of Retinol-Like Bakuchiol Present in Cosmetic Products
by Matylda Grzelecka, Paweł Siudem, Natalia Tyburc, Liling Triyasmono, Ulrike Holzgrabe and Katarzyna Paradowska
Int. J. Mol. Sci. 2025, 26(14), 6638; https://doi.org/10.3390/ijms26146638 - 10 Jul 2025
Viewed by 215
Abstract
Retinoids are used in cosmetics as anti-aging ingredients, along with other substances. However, due to limitations in use (such as photodegradation), it seems necessary to look for retinoid alternatives to be applied in cosmetic products. Bakuchiol, a natural alternative of retinoids, isolated from [...] Read more.
Retinoids are used in cosmetics as anti-aging ingredients, along with other substances. However, due to limitations in use (such as photodegradation), it seems necessary to look for retinoid alternatives to be applied in cosmetic products. Bakuchiol, a natural alternative of retinoids, isolated from Psolarea corylifolia, is one such compound. It has great cosmetic potential and its mechanism of action is not yet fully explored. From the point of view of the bioactive compound, it is also essential to develop a method for rapid quality control of cosmetic preparations containing bakuchiol. The aim of this study was to apply and compare methods for the quantification of bakuchiol in cosmetic products using UV-Vis, 1H qNMR, and HPLC. The results show the possibility of using the 1H NMR method in the routine quality control of cosmetics with bakuchiol because of its comparable results with HPLC analysis and significantly shorter analysis time. Full article
(This article belongs to the Special Issue Extraction, Identification and Quantification of Bioactive Molecules)
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Review

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27 pages, 1449 KiB  
Review
Proteins and DNA Sequences Interacting with Tanshinones and Tanshinone Derivatives
by Piotr Szymczyk, Małgorzata Majewska and Jadwiga Nowak
Int. J. Mol. Sci. 2025, 26(2), 848; https://doi.org/10.3390/ijms26020848 - 20 Jan 2025
Viewed by 1708
Abstract
Tanshinones, biologically active diterpene compounds derived from Salvia miltiorrhiza, interact with specific proteins and DNA sequences, influencing signaling pathways in animals and humans. This study highlights tanshinone–protein interactions observed at concentrations achievable in vivo, ensuring greater physiological relevance compared to in vitro [...] Read more.
Tanshinones, biologically active diterpene compounds derived from Salvia miltiorrhiza, interact with specific proteins and DNA sequences, influencing signaling pathways in animals and humans. This study highlights tanshinone–protein interactions observed at concentrations achievable in vivo, ensuring greater physiological relevance compared to in vitro studies that often employ supraphysiological ligand levels. Experimental data suggest that while tanshinones interact with multiple proteomic targets, only a few enzymes are significantly affected at biologically relevant concentrations. This apparent paradox may be resolved by tanshinones’ ability to bind DNA and influence enzymes involved in gene expression or mRNA stability, such as RNA polymerase II and human antigen R protein. These interactions trigger secondary, widespread changes in gene expression, leading to complex proteomic alterations. Although the current understanding of tanshinone–protein interactions remains incomplete, this study provides a foundation for deciphering the molecular mechanisms underlying the therapeutic effects of S. miltiorrhiza diterpenes. Additionally, numerous tanshinone derivatives have been developed to enhance pharmacokinetic properties and biological activity. However, their safety profiles remain poorly characterized, limiting comprehensive insights into their medicinal potential. Further investigation is essential to fully elucidate the therapeutic and toxicological properties of both native and modified tanshinones. Full article
(This article belongs to the Special Issue Extraction, Identification and Quantification of Bioactive Molecules)
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