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Molecules
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Analytical Insights into Bioactive Compounds in Pharmaceutical Formulations
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Analytical Insights into Bioactive Compounds in Pharmaceutical Formulations

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

Deadline for manuscript submissions: 30 June 2025 | Viewed by 2089

Special Issue Editor

Prof. Dr. Anna Gumieniczek

E-Mail Website
Guest Editor
Department of Medicinal Chemistry, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland
Interests: medicinal chemistry; drug analysis; drug stability; drug photostability; drug phototoxicity

Special Issue Information

Dear Colleagues,

Analytical investigation plays an important role at every stage of a drug's life, from research development to the control of each batch of the final formulation available on the market. Quality control is crucial to ensure the release of safe and effective medicines. Different analytical tools are used to understand the physical and chemical stability of a drug’s bulk substances, determine their impurities and design the optimal dosage forms. Moreover, various analytical tools are also used to eludicate the bioavailability of a given drug product.

Today's technologies offer increasingly better technical tools and chemometric support for a better, faster and more effective assessment of the quality of pharmaceutical substances and final products, but on the other hand, we are faced with challenges related to the costs of analytical experiments and the environmental aspects.

I invite you to publish papers (original research papers, reviews, etc.) on a wide range of pharmaceutical analyses, including spectroscopic, chromatographic and immunological analyses, thermo- and electroanalytical methods, and multivariate statistical and chemometric tools dedicated to testing bioactive compounds in pharmaceutical formulations, including biological medicines or new pharmaceutical formulations. This collection aims to cover analytical insights into active substances, their impurities and the microenvironment of pharmaceutical formulations, including falsified medicines. Research may also include aspects of miniaturization and “greener” chemistry. The objective of this Special Issue is to provide a multifarious review of the state-of-the-art analytical tools and strategies employed in drug discovery, development and quality control.

Prof. Dr. Anna Gumieniczek
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

  • bioactive compounds
  • drug quality control
  • new pharmaceutical formulations
  • advanced analytical techniques
  • falsified medicines
  • methodologies

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Published Papers (3 papers)

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Research

17 pages, 4185 KiB  
Article
Squalane as a Promising Agent Protecting UV-Induced Inhibition of Collagen Biosynthesis and Wound Healing in Human Dermal Fibroblast
by Katarzyna Wolosik, Magda Chalecka, Gabriela Gasiewska, Jerzy Palka and Arkadiusz Surazynski
Molecules 2025, 30(9), 1964; https://doi.org/10.3390/molecules30091964 - 29 Apr 2025
Viewed by 62
Abstract
Squalane, a highly stable derivative of squalene, has received attention for its potential application in dermatology and cosmetics due to its biocompatibility, moisturizing properties, and antioxidant activity. This study investigates the effects of squalane on UVA-induced oxidative stress, inflammation, deregulation of collagen metabolism, [...] Read more.
Squalane, a highly stable derivative of squalene, has received attention for its potential application in dermatology and cosmetics due to its biocompatibility, moisturizing properties, and antioxidant activity. This study investigates the effects of squalane on UVA-induced oxidative stress, inflammation, deregulation of collagen metabolism, and some growth signaling pathways in human dermal fibroblasts (HDFs). It has been found that squalane at concentrations of 0.005–0.015% counteracted the UVA-induced inhibition of oxidative stress, collagen biosynthesis, prolidase activity, expression of the β1-integrin receptor, insulin-like growth factor-I receptor (IGFR), transforming growth factor-β (TGF-β), phosphorylated kinases ERK1/2, and increase in the expression of p38 kinase in HDFs. Moreover, squalane at the studied concentrations counteracted UVA-induced increase in the expression of NF-κB and COX-2 in HDFs, suggesting its anti-inflammatory activity. Interestingly, squalane augmented the UVA-induced expression of nuclear factor erythroid 2-related factor 2 (Nrf2). The functional significance of squalane activities was found in a model of wound healing in HDFs. Squalane at the studied concentrations stimulated fibroblast migration, facilitating the repair process following exposure of the cells to UVA radiation. These results demonstrate the ability of squalane to counteract UVA-induced cell damage and suggest its potential to support skin regeneration, highlighting its application in anti-aging, post-sun repair, and regenerative care formulations. Full article
(This article belongs to the Special Issue Analytical Insights into Bioactive Compounds in Pharmaceutical Formulations)
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20 pages, 3476 KiB  
Article
Novel Intravenous Nanoemulsions Based on Cannabidiol-Enriched Hemp Oil—Development and Validation of an HPLC-DAD Method for Cannabidiol Determination
by Agnieszka Sobczak, Piotr Zieliński, Anna Jelińska and Aleksandra Gostyńska-Stawna
Molecules 2025, 30(2), 278; https://doi.org/10.3390/molecules30020278 - 12 Jan 2025
Viewed by 892
Abstract
Background: Intravenous nanoemulsions (NEs) are gaining attention as potential delivery systems for poorly water-soluble substances like cannabidiol (CBD). This study aimed to develop novel NEs based on CBD-enriched hemp oils and evaluate their physiochemical properties. Methods: The stability of hemp oils enriched with [...] Read more.
Background: Intravenous nanoemulsions (NEs) are gaining attention as potential delivery systems for poorly water-soluble substances like cannabidiol (CBD). This study aimed to develop novel NEs based on CBD-enriched hemp oils and evaluate their physiochemical properties. Methods: The stability of hemp oils enriched with various concentrations of CBD (0.5%, 1.0%, and 1.5%) with and without the addition of α-tocopherol was determined, and the most stable oils were subsequently incorporated into NEs. In order to determine the CBD content in the obtained CBD-enriched oils and NEs, as well as to conduct stability tests, a new HPLC method was developed and validated. Results: The HPLC method demonstrated very good linearity, precision, accuracy, specificity, and robustness, enabling reliable assessment of the quality of newly developed formulations. The formulated NEs were characterized by droplet size of below 200 nm and polydispersity index PDI ≤ 0.14 satisfactory for intravenous application. Conclusion: This research presents a preliminary study on the development of CBD-enriched hemp oil-based NEs that showed promising potential for further investigation. A new HPLC-DAD method was appropriate to register changes in CBD concentration in various matrices, including CBD-hemp oil and intravenous NEs during their preparation and storage. Additionally, the effect of certain emulsifiers used in NE formulations on the course of the chromatographic analysis of CBD was examined, providing valuable insights concerning the application of the provided methodology in future formulation analysis. Full article
(This article belongs to the Special Issue Analytical Insights into Bioactive Compounds in Pharmaceutical Formulations)
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15 pages, 1384 KiB  
Article
Standardized Chromatographic and Computational Approaches for Lipophilicity Analysis of Five Gliflozin Antidiabetic Drugs in Relation to Their Biological Activity
by Anna Gumieniczek, Anna Berecka-Rycerz, Marcelina Dul and Aleksandra Pryjda
Molecules 2025, 30(1), 115; https://doi.org/10.3390/molecules30010115 - 31 Dec 2024
Viewed by 707
Abstract
This study represents the first-time experimental analysis of lipophilicity for antidiabetic drugs from the gliflozin class using chromatographic methods alongside computational approaches. The lipophilicity of five gliflozins (canagliflozin (CANA), dapagliflozin (DAPA), empagliflozin (EMPA), ertugliflozin (ERTU), and sotagliflozin (SOTA)) was assessed using RMW [...] Read more.
This study represents the first-time experimental analysis of lipophilicity for antidiabetic drugs from the gliflozin class using chromatographic methods alongside computational approaches. The lipophilicity of five gliflozins (canagliflozin (CANA), dapagliflozin (DAPA), empagliflozin (EMPA), ertugliflozin (ERTU), and sotagliflozin (SOTA)) was assessed using RMW and log kW parameters with RP8, RP18, and CN coatings, while methanol and acetonitrile were used as organic modifiers. To enhance the reliability, six reference substances with established lipophilicity values (0.62–3.5) were used for standardization. For computational analyses, the methods ALOGP, iLOGP, MLOGP, SILICOS-IT, WLOGP, XLOGP3, and Consensus. Log P were applied. Descriptive statistics, correlation analyses, and chemometric techniques were employed to compare the results. Experimental lipophilicity values showed strong correlations, indicating that RMW and log kW are reliable parameters for evaluating the lipophilicity of these therapeutically valuable drugs. However, computational lipophilicity values were less consistent, both among themselves and compared to experimental data. Finally, the experimental lipophilicity of gliflozins was analyzed in relation to their pharmacological properties, including protein binding, renal clearance, volume of distribution, half-life, potency (IC50), and lipophilic ligand efficiency (LLE). Our results allow for a confident proposal of a model to experimentally determine the lipophilicity of gliflozin drugs including new derivatives. Full article
(This article belongs to the Special Issue Analytical Insights into Bioactive Compounds in Pharmaceutical Formulations)
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