From Plant to Pharmacology: Understanding the Metabolism of Natural Products

Topic Information

Dear Colleagues,

We are pleased to announce this Topic dedicated to advancing our understanding of the metabolism of natural products, from their origins in plants to their applications in pharmacology. Natural products have been the cornerstone of drug discovery, particularly in developing therapeutics for various diseases. However, the metabolic processes governing their bioactivity, bioavailability, and efficacy are still not fully understood. This Topic invites contributions that explore the intricate pathways, enzymes, and mechanisms involved in the metabolism of plant-derived compounds and the potential implications for drug development and personalized medicine. We welcome original research, reviews, and perspectives on topics including but not limited to Plant Metabolomics, Metabolic Pathways, Pharmacokinetics and Pharmacodynamics, Biotransformation in Drug Development, Interaction with Drug Metabolizing Enzymes, Herb-Drug Interactions, Bioengineering, and Synthetic Biology. We look forward to your contributions, which will help drive the scientific understanding of plant metabolites' vital role in modern pharmacology. We look forward to your submissions!

Prof. Dr. Fawzy A. Elbarbry
Dr. Mike Espiritu
Topic Editors

Keywords

Participating Journals

Journal Name	Impact Factor	CiteScore	Launched Year	First Decision (median)	APC
International Journal of Plant Biology ijpb	-	3.0	2010	19.6 Days	CHF 1200	Submit
Molecules molecules	4.6	8.6	1996	16.1 Days	CHF 2700	Submit
Plants plants	4.1	7.6	2012	17.7 Days	CHF 2700	Submit
Toxins toxins	4.0	8.2	2009	18.4 Days	CHF 2700	Submit
Pharmaceuticals pharmaceuticals	4.8	7.7	2004	14 Days	CHF 2900	Submit
BioTech biotech	3.1	4.8	2012	22.3 Days	CHF 1600	Submit
Metabolites metabolites	3.7	6.9	2011	14.4 Days	CHF 2700	Submit

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Published Papers (3 papers)

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All IJPB Molecules Plants Toxins Pharmaceuticals BioTech Metabolites

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25 pages, 5782 KB  

Open AccessReview

Molecular Docking as a Key Driver of Biocontrol for Agri-Food Security

by María Isabel Iñiguez-Luna, Jorge David Cadena-Zamudio, Marco A. Ramírez-Mosqueda, José Luis Aguirre-Noyola, Daniel Alejandro Cadena-Zamudio, Jorge Cadena-Iñiguez and Alma Armenta-Medina

BioTech 2025, 14(4), 80; https://doi.org/10.3390/biotech14040080 - 14 Oct 2025

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Abstract

Molecular docking has emerged as a pivotal computational approach in agri-food research, offering a rapid and targeted means to discover bioactive molecules for crop protection and food safety. Its ability to predict and visualize interactions between natural or synthetic compounds and specific biological [...] Read more.

Molecular docking has emerged as a pivotal computational approach in agri-food research, offering a rapid and targeted means to discover bioactive molecules for crop protection and food safety. Its ability to predict and visualize interactions between natural or synthetic compounds and specific biological targets provides valuable opportunities to address urgent agricultural challenges, including climate change and the rise in resistant crop pathogens. By enabling the in silico screening of diverse chemical entities, this technique facilitates the identification of molecules with antimicrobial and antifungal properties, specifically designed to interact with critical enzymatic pathways in plant pathogens. Recent advancements, such as the integration of molecular dynamics simulations and artificial intelligence-enhanced scoring functions, have significantly improved docking accuracy by addressing limitations like protein flexibility and solvent effects. These technological improvements have accelerated the discovery of eco-friendly biopesticides and multifunctional nutraceutical agents. Promising developments include nanoparticle-based delivery systems that enhance the stability and efficacy of bioactive molecules. Despite its potential, molecular docking still faces challenges related to incomplete protein structures, variability in scoring algorithms, and limited experimental validation in agricultural contexts. This work highlights these limitations while outlining current trends and future prospects to guide its effective application in agri-food biotechnology. Full article

(This article belongs to the Topic From Plant to Pharmacology: Understanding the Metabolism of Natural Products)

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26 pages, 3880 KB  

Open AccessReview

Review of Biological Activities of Some Rare Oils from Amazonian Plants

by Luana Merckling-Almeida da Silva, Nicolas Merckling, Enrico Bigi, Katiane Cunha de Melo and Iuliana Popa

Metabolites 2025, 15(8), 554; https://doi.org/10.3390/metabo15080554 - 19 Aug 2025

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Abstract

Background/Objectives: A great biodiversity of compounds from Brazilian medicinal plants are considered to be a promising source for biological activities in the cosmetics and pharmaceuticals sectors. Lipids and mainly fatty acids from Brazilian medicinal plants and their bioactive components are promising ingredients with [...] Read more.

Background/Objectives: A great biodiversity of compounds from Brazilian medicinal plants are considered to be a promising source for biological activities in the cosmetics and pharmaceuticals sectors. Lipids and mainly fatty acids from Brazilian medicinal plants and their bioactive components are promising ingredients with proven diverse biological activities. To undertake a review of some rare oils of Brazilian medicinal plants with corroborated biological activities, we selected data from the scientific literature reporting the efficacy of plants used in folk medicine as antioxidant, anti-inflammatory or other types of activity of their oil phases extracts and isolated fatty acids. Methods: A search of the literature was undertaken by using the following web tools: Web of Science, SciFinder, Pub-Med and ScienceDirect. The terms “biological activity”, “anti-inflammatory”, “açai oil, andiroba oil, bacuri butter, buriti oil, cupuaçu butter and pracaxi oil”, and “free fatty acids” and “Amazonian plant oils” were used as keywords in the search engines. The Tropicos and Reflora websites were used to verify the origin of the plants, and only native plants from Brazil were included in this review. Only the publications reporting the use of well-accepted scientific protocols to corroborate the potential biological activities of rare oils of Amazonian plants were considered. Results: We selected 6 Brazilian medicinal plant oils extracts (acai, andiroba, bacuri, buriti, cupuaçu, pracaxi) with multiple biological activities. The observations were presented as a function of the oil origin and the most important biological activities were detailed. Conclusions: The collected data on the rare oils from Amazonian plants, in the form of crude extract and/or isolated compounds, showed significant biological activities involving different mechanisms of action, indicating that these oils could be an important source of lipids with biological activity. Full article

(This article belongs to the Topic From Plant to Pharmacology: Understanding the Metabolism of Natural Products)

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18 pages, 1363 KB  

Open AccessArticle

Rosemary Extract: Phytochemical Composition and Potential for Eliminating Polymicrobial Biofilm of Candida albicans and Multidrug-Resistant Bacteria

by Tuana Mendonça Faria Cintra, Raquel Teles de Menezes, Lara Steffany de Carvalho, Leticia de Miguel Nazario, Leandro Wang Hantao, Maria Cristina Marcucci, Luciane Dias de Oliveira and Vanessa Marques Meccatti-Domiciano

BioTech 2025, 14(3), 61; https://doi.org/10.3390/biotech14030061 - 13 Aug 2025

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Abstract

Herbal medicines can be promising for the treatment of infections caused by multidrug-resistant microorganisms. This study aimed to evaluate Rosmarinus officinalis (Rosemary) hydroalcoholic extract (RHE) regarding its phytochemical composition and potential for eliminating polymicrobial biofilm of Candida albicans with multidrug-resistant bacteria (Acinetobacter [...] Read more.

Herbal medicines can be promising for the treatment of infections caused by multidrug-resistant microorganisms. This study aimed to evaluate Rosmarinus officinalis (Rosemary) hydroalcoholic extract (RHE) regarding its phytochemical composition and potential for eliminating polymicrobial biofilm of Candida albicans with multidrug-resistant bacteria (Acinetobacter baumannii, Klebsiella pneumoniae, and Pseudomonas aeruginosa). The extraction and quantification of the extract (flavonoids and phenols) were performed, and its antioxidant activity (DPPH) and the presence of bio-active compounds were investigated using high-performance liquid chromatography with Diode Array Detection (HPLC-DAD) and Gas Chromatography–Mass Spectrometry (GC-MS). The minimum inhibitory concentration (MIC) and minimum microbicidal concentration (MMC) were determined, and the extract’s action on polymicrobial biofilms was evaluated using the MTT assay. Data were analyzed using one-way ANOVA and Tukey’s tests, as well as Kruskal–Wallis and Dunn’s tests, with a significance level of 5%. RHE showed compatible amounts of flavonoids and phenols, with an EC50 of 19.53 µg/mL. Through HPLC-DAD and GC-MS, biomolecules such as rosmarinic acid and α-Pinene were identified. The extract exhibited microbicidal activity and antibiofilm action, with reduction percentages of up to 69.6% (p < 0.05), showing superior performance compared to 0.12% chlorhexidine against C. albicans + A. baumannii. In conclusion, RHE may be a promising therapeutic agent against multidrug-resistant pathogens. Full article

(This article belongs to the Topic From Plant to Pharmacology: Understanding the Metabolism of Natural Products)

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