Extraction, Analysis of Natural Products and Their Applications in Medicinal Chemistry

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Chemical Processes and Systems".

Deadline for manuscript submissions: 30 December 2026 | Viewed by 3110

Editors


E-Mail Website
Guest Editor
Laboratory of Plant Chemistry and Organic and Bio-Organic Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10000, Morocco
Interests: phytochemistry; therapeutic chemistry; natural products; bioactive compounds; green extraction; lipids; analytical techniques

E-Mail Website
Guest Editor
Laboratory of Ecotoxicology, Bioresources and Coastal Geomorphology, Polydisciplinary Faculty of Safi, Cadi Ayyad University, P.O. Box 4162, Safi 46000, Morocco
Interests: antimicrobials; ethnopharmacology; bacterial antibiotic resistance; biological activities; natural product chemistry; phytochemical analysis; natural product drug discovery; natural product pharmacology

E-Mail Website
Guest Editor
Faculty of Sciences, Mohammed V University in Rabat, 4 Avenue Ibn Battouta, Agadir B.P. 1014 RP, Morocco
Interests: organic and medicinal chemistry; crystal structure analysis; intermolecular interactions
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Modern drug discovery is a complex, interdisciplinary process that combines cutting-edge computational and synthetic methods with rigorous in vitro and in vivo evaluations. This Special Issue will delve into the dynamic interface between natural product chemistry and pharmaceutical sciences, emphasizing both the traditional use of medicinal plants and the innovative techniques that are transforming drug development.

Natural products represent a substantial source of structurally diverse secondary metabolites derived from plants, animals, and microbes. Despite the long-standing utilization of these bioactive compounds in traditional medicine, their comprehensive therapeutic potential remains scientifically unsubstantiated in many cases. Recent advancements in green extraction methods, such as supercritical fluids, ultrasound, and microwave-assisted methods, in conjunction with high-resolution analytical techniques, have now enabled precise isolation, identification, and quantification of natural bioactive compounds.

At present, advancements in pharmaceutical chemistry, encompassing target-based design, sophisticated chromatographic and spectroscopic analyses, and computer-assisted drug design, are facilitating the identification of novel therapeutic agents.

For this Special Issue, “Extraction, Analysis of Natural Products and Their Applications in Medicinal Chemistry”, we seek comprehensive, high-quality studies that integrate phytochemical analysis into pharmacological evaluations.

Topics of interest include, but are not limited to, the following:

  • Optimization of eco-efficient extraction processes for natural products
  • Isolation, identification, and quantitative assessment of bioactive compounds;
  • Applications of advanced analytical techniques (e.g., LC-MS/MS, GC-MS, NMR spectroscopy, mass spectrometry imaging, etc.) for structural elucidation and quantification of natural products
  • In vitro and in vivo studies that elucidate the pharmacological mechanisms and therapeutic potential of natural products;
  • The integration of computational tools, including machine learning and artificial intelligence, into virtual screening, structure prediction, and optimization for drug candidates;
  • Multidisciplinary approaches that bridge traditional natural product uses and modern pharmaceutical innovation.

Dr. Hanae El Monfalouti
Dr. Taoufiq Benali
Dr. Nada Kheira Sebbar
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 250 words) can be sent to the Editorial Office for assessment.

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-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Processes 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 2400 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
  • natural products
  • green extraction
  • analytical characterization
  • drug discovery
  • pharmacological evaluation
  • target-based drug design
  • phytochemistry
  • computational screening

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.
  • Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

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

Published Papers (3 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Research

Jump to: Review

19 pages, 1272 KB  
Article
LC-MS/MS-Analysis and Biological Evaluation of Hop (Humulus lupulus): Antioxidant, Antidiabetic, Anticholinergic and Antiglaucoma Activities
by Kubra Aslan, Ulkuye Dudu Gul, Mustafa Arık, Mustafa Abdullah Yilmaz, Oğuz Cakir and İlhami Gulcin
Processes 2026, 14(7), 1073; https://doi.org/10.3390/pr14071073 - 27 Mar 2026
Viewed by 618
Abstract
This study investigates the antioxidant, enzyme inhibitory, and antimicrobial activities of water (WEHL) and ethanol (EEHL) extracts of hop (Humulus lupulus) cones. Phytochemical analyses revealed higher total phenolic content in EEHL (271.52 ± 0.13 mg GAE/g) than in WEHL (251.84 ± [...] Read more.
This study investigates the antioxidant, enzyme inhibitory, and antimicrobial activities of water (WEHL) and ethanol (EEHL) extracts of hop (Humulus lupulus) cones. Phytochemical analyses revealed higher total phenolic content in EEHL (271.52 ± 0.13 mg GAE/g) than in WEHL (251.84 ± 0.06 mg GAE/g), as well as higher total flavonoid content (182.56 ± 0.45 mg QE/g for EEHL versus 179.39 ± 0.46 mg QE/g for WEHL). Antioxidant activity, determined by DPPH and ABTS assays, showed that EEHL had stronger radical scavenging capacity with IC50 values of 19.13 ± 4.66 μg/mL (DPPH) and 12.66 ± 1.94 μg/mL (ABTS), compared to WEHL (DPPH: 20.90 ± 2.39 μg/mL; ABTS: 32.41 ± 4.29 μg/mL). In reducing assays, EEHL also showed better absorbance values in FRAP (0.77 ± 0.01), CUPRAC (2.09 ± 0.05), and Fe3+ reducing (1.95 ± 0.01) tests. EEHL likely outperformed WEHL due to solvent polarity and extraction efficiency. Moderately polar ethanol extracts a broader range of phenolics and flavonoids, including fewer polar bioactive compounds that contribute to antioxidant capacity and enzyme inhibition. This matches higher TPC/TFC in EEHL and explains stronger radical scavenging, reducing power, and multi-enzyme inhibition. Enzyme inhibition studies revealed that EEHL inhibited acetylcholinesterase (IC50: 26.06 μg/mL), butyrylcholinesterase (IC50: 44.00 μg/mL), α-glycosidase (IC50: 119.31 μg/mL), and carbonic anhydrase isoenzymes hCA I (IC50: 59.78 μg/mL) and hCA II (IC50: 21.19 μg/mL). LC–MS/MS analysis identified major phenolic compounds such as isoquercitrin (3.14 ng/mL), rutin (0.60 ng/mL), and hesperidin (0.43 ng/mL) in EEHL. Antimicrobial screening showed selective activity against Staphylococcus aureus with an inhibition zone of 18.50 ± 0.58 mm, while no inhibition was observed against Escherichia coli and Candida albicans. These findings provide a solvent-dependent in vitro profile that can guide extraction strategies, support antioxidant and multi-enzyme screening (including hCA I and II), and identify candidates for selective antimicrobial evaluation and further preclinical investigation. Despite extensive use of hop extracts, comparative solvent-dependent profiling that links LC–MS/MS phenolic composition with a broad multi-enzyme inhibition panel, including the less frequently evaluated hCA I/II isoenzymes, remains limited. Therefore, the objective of this study was to systematically compare WEHL and EEHL in terms of phytochemical content and in vitro antioxidant, enzyme inhibitory, and antimicrobial activities. Overall, these results provide a solvent-dependent, comparative in vitro profile of WEHL vs. EEHL that can support antioxidant, multi-enzyme screening (including hCA I and II), and selective antimicrobial assays. Full article
Show Figures

Figure 1

17 pages, 2950 KB  
Article
Temporal Tracking of Metabolomic Shifts in In Vitro-Cultivated Kiwano Plants: A GC-MS, LC-HRMS-MS, and In Silico Candida spp. Protein and Enzyme Study
by Mladen Rajaković, Jelena Božunović, Danijela Mišić, Ivana Sofrenić, Dejan Stojković and Uroš Gašić
Processes 2026, 14(1), 56; https://doi.org/10.3390/pr14010056 - 23 Dec 2025
Viewed by 899
Abstract
Cucumis metuliferus E. Mey or kiwano/African horned melon is a good source of bioactive compounds of various pharmacological and industrial importance. This study investigated metabolomic shifts in in vitro cultivated kiwano plants over ten weeks of maturity time through GC-MS and LC-HRMS-MS untargeted [...] Read more.
Cucumis metuliferus E. Mey or kiwano/African horned melon is a good source of bioactive compounds of various pharmacological and industrial importance. This study investigated metabolomic shifts in in vitro cultivated kiwano plants over ten weeks of maturity time through GC-MS and LC-HRMS-MS untargeted analysis of volatile and non-volatile metabolites. Furthermore, in silico screening of the highly abundant volatile compounds from each sample was performed against three different proteins and enzymes of Candida spp. These results obtained from GC-MS and LC-HRMS-MS analysis highlight the potential of in vitro culture for enhancing the biosynthetic potential of C. metuliferus for sustainable and controlled production of target metabolites. Furthermore, this work also highlights the potential inhibitory properties of abundant volatile compounds in each stage of maturation period of C. metuliferus, providing a platform for further exploration of the therapeutic applications of C. metuliferus metabolites against Candida spp. Full article
Show Figures

Figure 1

Review

Jump to: Research

35 pages, 2439 KB  
Review
Subcritical Water Extraction as a Green Technology for the Development of Standardized Plant Extracts for Food and Pharmaceutical Uses
by Petko Denev, Manol Ognyanov, Mariya Pimpilova and Desislava Teneva
Processes 2026, 14(10), 1564; https://doi.org/10.3390/pr14101564 - 12 May 2026
Cited by 1 | Viewed by 450
Abstract
The increasing global demand for natural bioactive compounds in the food, nutraceutical, and pharmaceutical sectors highlights the need for sustainable extraction technologies capable not only of efficiently valorizing crop biomass and agro-waste but also of producing reproducible and standardized botanical extracts. Subcritical water [...] Read more.
The increasing global demand for natural bioactive compounds in the food, nutraceutical, and pharmaceutical sectors highlights the need for sustainable extraction technologies capable not only of efficiently valorizing crop biomass and agro-waste but also of producing reproducible and standardized botanical extracts. Subcritical water extraction (SWE), which utilizes pressurized hot water at temperatures between 100 °C and 374 °C to modify solvent properties, has emerged as a promising green alternative to conventional organic solvent-based extraction methods. Despite its advantages in terms of environmental compatibility, extraction efficiency and tunable selectivity, the industrial application of SWE remains limited, and strategies for obtaining standardized extracts using this technology are still insufficiently explored. This review provides a comprehensive overview of SWE in the context of natural product extraction and the development of standardized plant extracts. The fundamental principles of SWE are discussed, including temperature-dependent changes in water polarity, solvent–solute interactions, and the influence of key process parameters such as temperature, pressure, extraction time, and particle size. Particular emphasis is placed on how these factors affect extraction selectivity, phytochemical composition, and reproducibility, which are critical aspects for extract standardization. Mechanistic insights into plant cell disruption, compound stability, and hydrothermal transformations under SWE conditions are also examined. Recent applications of SWE for the extraction of phenolics, flavonoids, terpenoids, alkaloids, and other pharmacologically relevant compounds are reviewed, highlighting the relationship between extraction conditions and extract quality. Finally, current challenges and future perspectives for integrating SWE into the production of standardized botanical extracts suitable for food, nutraceutical, and pharmaceutical applications are discussed, paving the way for the wider industrial adoption of this environmentally friendly technology. Full article
Show Figures

Figure 1

Back to TopTop