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Functional Evaluation of Bioactive Compounds from Natural Sources

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

Deadline for manuscript submissions: closed (30 June 2024) | Viewed by 23552

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Dr. Kuniyoshi Shimizu

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Faculty of Agriculture, Kyushu University, Fukuoka, Japan
Interests: natural medicines; natural cosmetics; natural functional foods; natural aroma; natural dwelling space
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Dr. Yhiya Amen

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Guest Editor Assistant

Faculty of Pharmacy, Mansoura University, Mansoura, Egypt
Interests: natural products chemistry; ethnopharmacology; functional foods; medicinal mushrooms; evidence-based herbal medicines
Special Issues, Collections and Topics in MDPI journals

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Dear Colleagues,

The functional evaluation of bioactive compounds from natural sources is an important area of research that seeks to identify and characterize biologically active compounds found in plants, fungi, and other natural sources. These bioactive compounds have been shown to possess a wide range of pharmacological and therapeutic properties that can be utilized to treat various diseases. The evaluation of these compounds involves a range of techniques, including in vitro and in vivo assays, to ascertain their biological activity and potential clinical utility. Bioactive compounds from natural sources have been studied extensively in recent years due to their potential as alternative or complementary therapies to conventional drugs. The functional evaluation of bioactive compounds from natural sources is an interdisciplinary field that involves the collaboration of researchers from various disciplines, including biology, pharmacology, chemistry, and medicine. The use of advanced techniques, such as high-throughput screening and molecular modeling, has greatly enhanced the ability to identify and characterize bioactive compounds from natural sources. The functional assessment of bioactive substances derived from natural sources is, in general, a fast-developing topic that holds considerable potential for the creation of novel and efficient therapies for a wide range of diseases.

This Special Issue aims to collect updates and recent advances on the functional evaluation of bioactive compounds from natural sources. This Special Issue may include full articles and reviews focusing on the isolation and characterization of biologically active compounds from a wide range of natural sources, as well as in vitro and in vivo studies of the biological properties of extracts, fractions, and isolated compounds that may be explored for the development of pharmaceuticals, cosmeceuticals, and nutraceuticals.

Dr. Kuniyoshi Shimizu
Guest Editor

Dr. Yhiya Amen
Guest Editor Assistant

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Keywords

natural products
structure–activity relationship
drug discovery
isolation and identification of natural products
biological activity
ethnopharmacology
natural medicines
medicinal mushrooms
functional foods
natural cosmetics
natural aroma
in vitro and in vivo studies

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Related Special Issue

Functional Evaluation of Bioactive Compounds from Natural Sources, 2nd Edition in Molecules

Published Papers (11 papers)

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Research

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16 pages, 2823 KiB

Open AccessArticle

Increased Trypanocidal Activity of the Salinomycin Derivative Ironomycin Is Due to ROS Production and Iron Uptake Impairment

by Dietmar Steverding, Stuart A. Rushworth, Georgina R. Hurle, Michał Antoszczak, Michał Sulik, Adam Huczyński and Kevin M. Tyler

Molecules 2024, 29(23), 5597; https://doi.org/10.3390/molecules29235597 (registering DOI) - 27 Nov 2024

Viewed by 13

Abstract

Salinomycin and its derivatives display promising anti-proliferating activity against bloodstream forms of Trypanosoma brucei. The mechanism of trypanocidal action of these compounds is due to their ionophoretic activity inducing an influx of sodium cations followed by osmotic water uptake, leading to massive swelling of bloodstream-form trypanosomes. Generally, higher trypanocidal activities of salinomycin derivatives are associated with higher cell swelling activities. Although ironomycin (C20-propargylamine derivative of salinomycin) and salinomycin showed identical cell swelling activities, ironomycin was 6 times more trypanocidal than salinomycin, and the 50% growth inhibition (GI₅₀) values were 0.034 μM and 0.20 μM, respectively. However, when bloodstream-form trypanosomes were incubated with ironomycin in the presence of vitamin E and ammonium ferric citrate, the trypanocidal activity of the compound was reduced to that of salinomycin (GI₅₀ = 0.21 μM vs. GI₅₀ = 0.20 μM). In addition, vitamin E was found to decrease the trypanocidal activity of ironomycin much more than ammonium ferric citrate (GI₅₀ = 0.18 μM vs. GI₅₀ = 0.042 μM). Moreover, ironomycin caused a reduction in the uptake of the iron-carrier protein transferrin mediated by a downregulation of the transferrin receptor and led to the accumulation and sequestering of iron(II) in the parasite’s lysosome, triggering an increase production of reactive oxygen species (ROS). These results suggest that the increased trypanocidal activity of ironomycin can be mainly attributed to an increased ROS production and, to a lesser extent, an impairment in iron uptake. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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13 pages, 11706 KiB

Open AccessArticle

Chemical Profile and Potential Applications of Sclerocarya birrea (A.Rich.) Hochst. subsp. caffra (Sond.) Kokwaro Kernel Oils: Analysis of Volatile Compounds and Fatty Acids

by Callistus Bvenura and Learnmore Kambizi

Molecules 2024, 29(16), 3815; https://doi.org/10.3390/molecules29163815 - 11 Aug 2024

Viewed by 1031

Abstract

Sclerocarya birrea kernel volatile compounds and fatty acid methyl esters (FAMEs) from the Bubi district in Matabeleland North province of Zimbabwe were characterised by GC–MS. The volatile compounds of the oil include 65 different compounds from 24 distinct classes, dominated by 13 alcohols and 14 aldehydes (42%). Other classes include carboxylic acids, phenols, sesquiterpenes, lactones, pyridines, saturated fatty acids, ketones, and various hydrocarbons. The kernel oils revealed essential fatty acids such as polyunsaturated (α-linolenic and linoleic acids) and monounsaturated fatty acids (palmitic, palmitoleic, and oleic acids). Notably, oleic acid is the predominant fatty acid at 521.61 mg/g, constituting approximately 73% of the total fatty acids. Linoleic acid makes up 8%, and saturated fatty acids make up about 7%, including significant amounts of stearic (42.45 mg/g) and arachidic (3.46 mg/g) acids. These results validate the use of marula oils in food, pharmaceutical, and health industries, as well as in the multibillion USD cosmetics industry. Therefore, the potential applications of S. berria kernel oils are extensive, necessitating further research and exploration to fully unlock their capabilities. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

14 pages, 1012 KiB

Open AccessArticle

Unveiling the Chemical Composition, Bioactive Profile and Antioxidant Capacity of Dried Egyptian Jew’s Mallow Stems as a Promising Anticancer Agent

by Marwa Rashad Ali, Huda Hassan Ibrahim and Aziza Ali Salah-Eldin

Molecules 2024, 29(6), 1377; https://doi.org/10.3390/molecules29061377 - 20 Mar 2024

Cited by 1 | Viewed by 1764

Abstract

Phytochemicals from waste materials generated by agricultural and industrial processes have become globally significant due to their accessibility and potential effectiveness with few side effects. These compounds have essential implications in both medicine and the economy. Therefore, a quantitative analysis of the phytochemical profile, sugar types, and water-soluble vitamins of dried Corchorus olitorius L.“DJMS” extract (dried Jew’s mallow stem) was carried out with HPLC. In addition, the chemical composition, TPC, chlorophyll a and b, beta-carotene, and antioxidant effect using DPPH were investigated. Furthermore, the anticancer activity of the DJMS was evaluated by SRB assay using Huh-7 and MDA-MB-231 cell lines. In the quantitative study, DJMS extract showed a high antioxidant potential (67%) due to its content of bioactive compounds such as TPC (276.37 mg 100 g⁻¹) and chlorophyll a and b (20.31, 12.02 mg 100 g⁻¹, respectively), as well as some vitamins and minerals such as B-complex (B12; 146.8 mg 100 g⁻¹ and vitamin C 6.49 mg 100 g⁻¹) and selenium (<0.2 μg kg⁻¹). Moreover, the main sugar types found were sucrose and stachyose, which recorded 9.23 and 6.25 mg 100 g⁻¹, respectively. Identifying phenolic and flavonoids showed that the major components were ellagic acid (4905.26 μg kg⁻¹), ferulic acid (3628.29 μg kg⁻¹), chlorogenic acid (3757.08 μg kg⁻¹), luteolin—7-O-glucoside (4314.48 μg kg⁻¹), naringin (4296.94 μg kg⁻¹) and apigenin—6—rhamnose—8 glucoside (3078.87 μg kg⁻¹). The dried stem extract showed significant MDA-MB-231 inhibition activity and reached 80% at a concentration of 1000 µg/mL of DJMS extract, related to the content of phytochemical components such as isoflavones like genistein (34.96 μg kg⁻¹), which had a tremendous anticancer effect. Hence, the stem of Jew’s mallow (which is edible and characterized by its viability and low production cost) possesses the capacity to serve as a pharmaceutical agent for combating cancer owing to its abundance of bioactive components. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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20 pages, 3092 KiB

Open AccessArticle

Enrichment of Olive Oils with Natural Bioactive Compounds from Aromatic and Medicinal Herbs: Phytochemical Analysis and Antioxidant Potential

by Paraskevi Yfanti, Polyxeni Lazaridou, Vasiliki Boti, Dimitra Douma and Marilena E. Lekka

Molecules 2024, 29(5), 1141; https://doi.org/10.3390/molecules29051141 - 4 Mar 2024

Cited by 2 | Viewed by 1465

Abstract

Olive oil and herbs, two key components of the Mediterranean diet, are known for their beneficial effects on humans. In our study, we incorporated aromatic and medicinal herbs into local monovarietal olive oils via maceration procedures for enrichment. We identified the herbal-derived ingredients that migrate to olive oils and contribute positively to their total phenolic content and functional properties, such as radical scavenging activity. Thus, we characterized the essential oil composition of the aromatic herbs (GC-MS), and we determined the phenolic content and antioxidant capacity of the additives and the virgin olive oils before and after enrichment. The herbal phenolic compounds were analyzed by LC-LTQ/Orbitrap HRMS. We found that olive oils infused with Origanum vulgare ssp. hirtum, Rosmarinus officinalis and Salvia triloba obtained an increased phenolic content, by approximately 1.3 to 3.4 times, in comparison with the untreated ones. Infusion with S. triloba led to a significantly higher antioxidant capacity. Rosmarinic acid, as well as phenolic glucosides, identified in the aromatic herbs, were not incorporated into olive oils due to their high polarity. In contrast, phenolic aglycones and diterpenes from R. officinalis and S. triloba migrated to the enriched olive oils, leading to a significant increase in their phenolic content and to an improvement in their free radical scavenging capacity. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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23 pages, 8812 KiB

Open AccessArticle

Spectrophotometric and Chromatographic Assessment of Total Polyphenol and Flavonoid Content in Rhododendron tomentosum Extracts and Their Antioxidant and Antimicrobial Activity

by Halyna Kukhtenko, Nataliia Bevz, Yulian Konechnyi, Oleksandr Kukhtenko and Izabela Jasicka-Misiak

Molecules 2024, 29(5), 1095; https://doi.org/10.3390/molecules29051095 - 29 Feb 2024

Cited by 5 | Viewed by 1947

Abstract

In the literature, the chemical composition of Rhododendron tomentosum is mainly represented by the study of isoprenoid compounds of essential oil. In contrast, the study of the content of flavonoids will contribute to the expansion of pharmacological action and the use of the medicinal plant for medical purposes. The paper deals with the technology of extracts from Rh. tomentosum shoots using ethanol of various concentrations and purified water as an extractant. Extracts from Rh. tomentosum were obtained by a modified method that combined the effects of ultrasound and temperature to maximize the extraction of biologically active substances from the raw material. Using the method of high-performance thin-layer chromatography in a system with solvents ethyl acetate/formic acid/water (15:1:1), the following substances have been separated and identified in all the extracts obtained: rutin, hyperoside, quercetin, and chlorogenic acid. The total polyphenol content (TPC) and total flavonoid content (TFC) were estimated using spectrophotometric methods involving the Folin-Ciocalteu (F-C) reagent and the complexation reaction with aluminum chloride, respectively. A correlation analysis was conducted between antioxidant activity and the polyphenolic substance content. Following the DPPH assay, regression analysis shows that phenolic compounds contribute to about 80% (r² = 0.8028, p < 0.05) of radical scavenging properties in the extract of Rh. tomentosum. The extract of Rh. tomentosum obtained by ethanol 30% inhibits the growth of test cultures of microorganisms in 1:1 and 1:2 dilutions of the clinical strains #211 Staphylococcus aureus and #222 Enterococcus spp. and the reference strain Pseudomonas aeruginosa ATCC 10145. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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11 pages, 2380 KiB

Open AccessCommunication

Discovery of a New Compound, Erinacerin W, from the Mycelia of Hericium erinaceus, with Immunomodulatory and Neuroprotective Effects

by Jing-Yi Lin, Yen-Po Chen, Ting-Wei Lin, Tsung-Ju Li, Yu-Wen Chen, I-Chen Li and Chin-Chu Chen

Molecules 2024, 29(4), 812; https://doi.org/10.3390/molecules29040812 - 9 Feb 2024

Cited by 2 | Viewed by 1714

Abstract

One new compound with an isoindolinone skeleton, along with erinacines A, C, and S, was isolated from the mycelia of Hericium erinaceus, an edible fungus with a long history of use in traditional Chinese medicine. Based on analysis of MS and NMR spectral data, the structure of the compound was identified as (2E,6E)-8-(2-(1-carboxy-3-methylbutyl)-4,6-dihydroxy-1-oxoisoindolin-5-yl)-2,6-dimethylocta-2,6-dienoic acid. In light of this discovery, we have given this compound the name erinacerin W. Using a co-culture in vitro LPS-activated BV2 microglia-induced SH-SY5Y neuroinflammation model, the results showed that erinacerin W demonstrated protection against the LPS-activated BV-2 cell-induced overexpression of IL-6, IL-1β, and TNF-α on SH-SY5Y cells. This finding may provide potential therapeutic approaches for central nervous disorders. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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15 pages, 2143 KiB

Open AccessArticle

Unveiling the Antiviral Efficacy of Forskolin: A Multifaceted In Vitro and In Silico Approach

by Yhiya Amen, Mohamed A Selim, Reda A. Suef, Ahmed M. Sayed and Ahmed Othman

Molecules 2024, 29(3), 704; https://doi.org/10.3390/molecules29030704 - 3 Feb 2024

Viewed by 2022

Abstract

Coleus forskohlii (Willd.) Briq. is a medicinal herb of the Lamiaceae family. It is native to India and widely present in the tropical and sub-tropical regions of Egypt, China, Ethiopia, and Pakistan. The roots of C. forskohlii are edible, rich with pharmaceutically bioactive compounds, and traditionally reported to treat a variety of diseases, including inflammation, respiratory disorders, obesity, and viral ailments. Notably, the emergence of viral diseases is expected to quickly spread; consequently, these data impose a need for various approaches to develop broad active therapeutics for utilization in the management of future viral infectious outbreaks. In this study, the naturally occurring labdane diterpenoid derivative, Forskolin, was obtained from Coleus forskohlii. Additionally, we evaluated the antiviral potential of Forskolin towards three viruses, namely the herpes simplex viruses 1 and 2 (HSV-1 and HSV-2), hepatitis A virus (HAV), and coxsackievirus B4 (COX-B4). We observed that Forskolin displayed antiviral activity against HAV, COX-B4, HSV-1, and HSV-2 with IC₅₀ values of 62.9, 73.1, 99.0, and 106.0 μg/mL, respectively. Furthermore, we explored the Forskolin’s potential antiviral target using PharmMapper, a pharmacophore-based virtual screening platform. Forskolin’s modeled structure was analyzed to identify potential protein targets linked to its antiviral activity, with results ranked based on Fit scores. Cathepsin L (PDB ID: 3BC3) emerged as a top-scoring hit, prompting further exploration through molecular docking and MD simulations. Our analysis revealed that Forskolin’s binding mode within Cathepsin L’s active site, characterized by stable hydrogen bonding and hydrophobic interactions, mirrors that of a co-crystallized inhibitor. These findings, supported by consistent RMSD profiles and similar binding free energies, suggest Forskolin’s potential in inhibiting Cathepsin L, highlighting its promise as an antiviral agent. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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23 pages, 6034 KiB

Open AccessArticle

Bioprospecting of Selected Species of Polypore Fungi from the Western Balkans

by Maja Kozarski, Anita Klaus, Bojana Špirović-Trifunović, Srdjan Miletić, Vesna Lazić, Željko Žižak and Jovana Vunduk

Molecules 2024, 29(2), 314; https://doi.org/10.3390/molecules29020314 - 8 Jan 2024

Cited by 2 | Viewed by 1634

Abstract

Growing mushrooms means meeting challenges while aiming for sustainability and circularity. Wherever the producer is located, commercial strains are the same originating from several producers. Customized strains adapted to local conditions are urgently needed. Before introducing new species to the strain development pipeline, the chemical characterization and biological activity of wild ones need to be assessed. Accordingly, the mycoceutical potential of five polypore mushroom species from Serbia was evaluated including: secondary metabolite composition, oxidative damage prevention, anti-tyrosinase, and anti-angiotensin converting enzyme (ACE). The phenolic pattern was comparable in all samples, but the amounts of specific chemicals varied. Hydroxybenzoic acids were the primary components. All samples had varying quantities of ascorbic acid, carotene, and lycopene, and showed a pronounced inhibition of lipid peroxidation (LPx) and ability to scavenge HO^•. Extracts were more potent tyrosinase inhibitors but unsuccessful when faced with ACE. Fomitopsis pinicola had the strongest anti-tumor efficacy while Ganoderma lucidum demonstrated strong selectivity in anti-tumor effect in comparison to normal cells. The evaluated species provided a solid foundation for commercial development while keeping local ecology in mind. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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Review

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31 pages, 1158 KiB

Open AccessReview

Phytochemicals against Osteoarthritis by Inhibiting Apoptosis

by Hui Kong, Juan-Juan Han, Gorbachev Dmitrii and Xin-an Zhang

Molecules 2024, 29(7), 1487; https://doi.org/10.3390/molecules29071487 - 27 Mar 2024

Cited by 5 | Viewed by 2103

Abstract

Osteoarthritis (OA) is a chronic joint disease that causes pathological changes in articular cartilage, synovial membrane, or subchondral bone. Conventional treatments for OA include surgical and non-surgical methods. Surgical treatment is suitable for patients in the terminal stage of OA. It is often the last choice because of the associated risks and high cost. Medication of OA mainly includes non-steroidal anti-inflammatory drugs, analgesics, hyaluronic acid, and cortico-steroid anti-inflammatory drugs. However, these drugs often have severe side effects and cannot meet the needs of patients. Therefore, safe and clinically appropriate long-term treatments for OA are urgently needed. Apoptosis is programmed cell death, which is a kind of physiologic cell suicide determined by heredity and conserved by evolution. Inhibition of apoptosis-related pathways has been found to prevent and treat a variety of diseases. Excessive apoptosis can destroy cartilage homeostasis and aggravate the pathological process of OA. Therefore, inhibition of apoptosis-related factors or signaling pathways has become an effective means to treat OA. Phytochemicals are active ingredients from plants, and it has been found that phytochemicals can play an important role in the prevention and treatment of OA by inhibiting apoptosis. We summarize preclinical and clinical studies of phytochemicals for the treatment of OA by inhibiting apoptosis. The results show that phytochemicals can treat OA by targeting apoptosis-related pathways. On the basis of improving some phytochemicals with low bioavailability, poor water solubility, and high toxicity by nanotechnology-based drug delivery systems, and at the same time undergoing strict clinical and pharmacological tests, phytochemicals can be used as a potential therapeutic drug for OA and may be applied in clinical settings. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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20 pages, 1187 KiB

Open AccessReview

Allicin and Cancer Hallmarks

by Wamidh H. Talib, Media Mohammed Baban, Aya O. Azzam, Jenan J. Issa, Alaa Y. Ali, Alia Kh. AlSuwais, Sana Allala and Lina T. AL Kury

Molecules 2024, 29(6), 1320; https://doi.org/10.3390/molecules29061320 - 15 Mar 2024

Cited by 6 | Viewed by 4359

Abstract

Natural products, particularly medicinal plants, are crucial in combating cancer and aiding in the discovery and development of new therapeutic agents owing to their biologically active compounds. They offer a promising avenue for developing effective anticancer medications because of their low toxicity, diverse chemical structures, and ability to target various cancers. Allicin is one of the main ingredients in garlic (Allium sativum L.). It is a bioactive sulfur compound maintained in various plant sections in a precursor state. Numerous studies have documented the positive health benefits of this natural compound on many chronic conditions, including gastric, hepatic, breast, lung, cervical, prostate, and colon cancer. Moreover, allicin may target several cancer hallmarks or fundamental biological traits and functions that influence cancer development and spread. Cancer hallmarks include sustained proliferation, evasion of growth suppressors, metastasis, replicative immortality, angiogenesis, resistance to cell death, altered cellular energetics, and immune evasion. The findings of this review should provide researchers and medical professionals with a solid basis to support fundamental and clinical investigations of allicin as a prospective anticancer drug. This review outlines the anticancer role of allicin in each hallmark of cancer. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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23 pages, 1282 KiB

Open AccessReview

(Bio)active Compounds in Daisy Flower (Bellis perennis)

by Anna-Lena Albien and Timo D. Stark

Molecules 2023, 28(23), 7716; https://doi.org/10.3390/molecules28237716 - 22 Nov 2023

Cited by 1 | Viewed by 3742

Abstract

The common daisy (Bellis perennis) belongs to the family Asteraceae and, in recent years, some new research has been published on the bioactive compounds and biological activities of its extracts. In 2014, the knowledge was partially summarized, but several new studies have been published in the last nine years. In addition, the substances were tabularly consolidated to give a comprehensive overview of over 310 individual components, compound classes, and bioactivities, as well as their accurate plant organ origin. The latest results have shown that the plant has antioxidative, antimicrobial, anticancerogenic, wound healing, antidepressive, anxiolytic, nephroprotective, and insulin mimetic effects, as well as an effect on lipid metabolism. Some studies in the field of homeopathy were also listed. Ideally, a biological effect and one or several compound(s) can be correlated. However, the compounds of the extracts used have often been qualified and quantified, but it remains unclear which of these substances have an activity. The works often stick at the level of the crude extract or a fraction, but not at a single purified and tested compound and, consequently, they are hampered by a missing comprehensive bioactivity workflow. This review provides a critical overview and gaps and offers a basis for further research in this area. Full article

(This article belongs to the Special Issue Functional Evaluation of Bioactive Compounds from Natural Sources)

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