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Pharmacological and Biological Activities of Bioactive Compounds in Natural Products

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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 (31 March 2025) | Viewed by 21933

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Special Issue Editors

Dr. Josiana A. Vaz

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Guest Editor

Mountain Research Center (CIMO), Polytechnic Institute of Bragança, Santa Apolónia Campus, 5300-253 Bragança, Portugal
Interests: nutraceuticals and functional foods; development of nutraceuticals and innovative food formulations with functional properties

Dr. Paula Coutinho

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Guest Editor

1. CPIRN-UDI-IPG–Research Unit for Inland Development, Center for Potential and Innovation of Natural Resources, Polytechnic of Guarda, Av. Dr. Francisco Sá Carneiro, 506300-559 Guarda, Portugal
2. Health Sciences Research Centre (CICS-UBI), Beira Interior University, Av. Infante D. Henrique, 6201-506 Covilhã, Portugal
Interests: microalgae; bioactive compounds as health promotors; bioactivity
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Natural products are an important source of bioactive compounds with remarkable pharmacological action. Global challenges such as bacterial resistance to a high number of “classic” antibiotics led to the progressive and emergent search for natural antimicrobials to be used as an alternative or as co-adjuvants in the treatment of infections. Moreover, bioactive compounds extracted from natural and diverse sources present other potential pharmacological actions namely considering the antitumoral, antiaging, healing, antioxidant, antihyperglycemic, analgesic, anticoagulant, antihypertensive and anti-inflammatory effects, reason why can be used not only in clinics, but also as active ingredients in pharmaceutical industry or as additives in food industry. Further, several compounds identified as promising are also the object of new applications, and through the application of advanced technologies like micro-and nano-encapsulation to be used in new pharmaceutical and cosmetics formulations or new biomaterials for tissue engineering.

Despite of the important amount of research that has been carried out on natural compounds, the potential of tive compounds is leading to a wide number of new applications, which we expect will be covered in this issue.

Thus, this Special Issue will cover, but not be limited to:

natural antitumoral compounds
natural anti-inflammatory compounds
natural antimicrobial compounds
natural antioxidants compounds
natural antihyperglycemic compounds
natural analgesic compounds
natural anticoagulant compounds
natural antihypertensive compounds
natural antiageing compounds
natural UV-protection
food applications
pharmacological and cosmetic applications
new formulation

Dr. Josiana A. Vaz
Dr. Paula Coutinho
Guest Editors

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Keywords

natural bioactive compounds
microorganisms
plants
animals
natural-based products
pharmacological actions
cosmetics
food products
pharmaceual industry

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Published Papers (8 papers)

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Research

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11 pages, 1717 KiB

Open AccessArticle

Isolation of Allosteric Tryptase Inhibitor from Methanol Extract of Rhubarb and Enhancement of Its Tryptase Inhibitory Activity by Compounds That Were Screened by In Silico Screening

by Hidetoshi Fujii, Moeno Ito, Kentaro Nishioka, Katsutoshi Nishino, Takanao Otsuka, Kazuhiro Irie, Takashi Tanaka and Masaya Nagao

Molecules 2025, 30(6), 1341; https://doi.org/10.3390/molecules30061341 - 17 Mar 2025

Viewed by 318

Abstract

Tryptase, which is abundant in human mast cells and is involved in allergic inflammations such as asthma, is a serine protease. We isolated a tryptase inhibitor, procyanidin B8 3,3′-di-O-gallate (PB8GG’), a tannin, from the methanol extract of rhubarb (RHEI RHIDOMA), which is a traditional Chinese medicine (Kampo medicine in Japan). Since it did not inhibit another serine protease trypsin, PB8GG’ specifically inhibited tryptase. A standard kinetic analysis of the inhibitory fashion of PB8GG’ against tryptase suggested that PB8GG’ inhibited tryptase in an allosteric manner. We searched for other tannins like PB8GG’ expected to bind tryptase using AutoDock vina. Two ellagitannins, carpinins B and E, isolated from young leaves of Carpinus japonica were selected as candidates of tryptase inhibitors. Carpinins B and E themselves had almost no inhibitory activity against tryptase but enhanced the inhibitory activity of PB8GG’ against tryptase. This is an example that shows that a combination of an allosteric inhibitor with other compounds that bind but have no inhibitory activity can be used to develop a clinically useful combinatorial enzyme inhibitor. Full article

(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)

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21 pages, 1749 KiB

Open AccessArticle

Chemical Characterization and Bioactivities of Sericin Extracted from Silkworm Cocoons from Two Regions of Portugal

by Sara Reis, Carina Spencer, Cristina M. Soares, Soraia I. Falcão, Sónia P. Miguel, Maximiano P. Ribeiro, Lillian Barros, Paula Coutinho and Josiana Vaz

Molecules 2025, 30(5), 1179; https://doi.org/10.3390/molecules30051179 - 6 Mar 2025

Viewed by 697

Abstract

Sericin has been characterized as demonstrating a variety of bioactivities, establishing it as a valuable resource for biomedical and pharmaceutical applications. The diverse biological activities of sericin are likely linked to its unique biochemical composition and properties. This study aimed to assess the effect of origin, seasonality, and amino acid composition on the bioactivity of sericin samples from two Portuguese regions compared to commercial sericin. The amino acid profile was analyzed using HPLC-FLD. Moreover, several bioactivities were assessed through in vitro assays, including antiproliferative effects, cell migration, antimicrobial activity, anticoagulant properties, antioxidant capacity, and anti-inflammatory effects. The results obtained in this work revealed that the origin and season affect the sericin amino acid profile. In its pure state, sericin exhibited a low content of free amino acids, with tyrosine being the most abundant (53.42–84.99%). In contrast, hydrolyzed sericin displayed a higher amino acid content dominated by serine (54.05–59.48%). Regarding bioactivities, the sericin tested did not demonstrate antioxidant or anti-inflammatory potential in the conducted tests. Notwithstanding, it showed antiproliferative activity in contact with human tumor cell lines at a minimum concentration of 0.52 mg/mL. Regarding antimicrobial activity, sericin had the capacity to inhibit the growth of the bacteria and fungi tested at concentrations between 5 and 10 mg/mL. Additionally, sericin demonstrated its capacity to prolong the coagulation time in pooled human plasma, indicating a potential anticoagulant activity. In addition, the origin and season also revealed their impact on biological activities, and sericin collected in Bragança in 2021 (S3) and 2022 (S4) demonstrated higher antiproliferative, antibacterial, and anticoagulant potentials. Future studies should focus on optimizing sericin’s bioactivities and elucidating its molecular mechanisms for clinical and therapeutic applications. Full article

(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)

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20 pages, 3907 KiB

Open AccessArticle

Exploring Volatiles and Biological Effects of Commiphora africana and Boswellia papyrifera Incense

by Sara A. Eltigani, Chisato Ohta, Ryota Nakamiya, Mizuki Yokono, Tomohiro Bito, Kenji Takahashi, Yukinori Yabuta, Mohamed M. Eltayeb, Toshio Ohta and Atsushi Ishihara

Molecules 2025, 30(3), 499; https://doi.org/10.3390/molecules30030499 - 23 Jan 2025

Viewed by 771

Abstract

The resin of Commiphora africana and the resin and bark of Boswellia papyrifera play versatile roles in traditional Sudanese culture, including use in inhalation therapy, liquid remedies, and as chewing gum. Thus, this study aimed to analyze the volatile compounds in these materials using various extraction methods and assess their biological activities. Extraction methods included MonoTrap solid-phase microextraction, smoke solvent trapping, and acetone immersion. Gas chromatography−mass spectrometry analysis of MonoTrap extracts identified highly volatile compounds, while smoke extracts contained compounds with lower volatility. Solvent immersion captured a broader range of compounds. The resin of C. africana was rich in limonene, verbenone, and β-selinene, whereas B. papyrifera extracts contained octyl acetate, trans-nerolidol, and nerolidol isobutyrate as major compounds. Biological assays showed C. africana smoke extract inhibited tyrosinase activity, with p-cymene and S-limonene acting as competitive inhibitors. It also inhibited the growth of cancer cells, A549 and MIA Paca-2, while solvent extracts from both resins inhibited all tested cell lines. Further, the acetone extracts exhibited strong antibacterial activity against Streptococcus mutans. These results highlight the differences in chemical composition between the two species, the impact of extraction methods, and the therapeutic potential of C. africana and B. papyrifera as sources of bioactive compounds. Full article

(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)

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26 pages, 2713 KiB

Open AccessArticle

London Rocket (Sisymbrium irio L.) as Healthy Green: Bioactive Compounds and Bioactivity of Plants Grown in Wild and Controlled Environments

by Tarik Chileh-Chelh, Tatiana Pagan Loeiro da Cunha-Chiamolera, Miguel Urrestarazu, Mohamed Ezzaitouni, Rosalía López-Ruiz, Cinthia Nájera, Miguel Ángel Rincón-Cervera and José Luis Guil-Guerrero

Molecules 2025, 30(1), 31; https://doi.org/10.3390/molecules30010031 - 25 Dec 2024

Viewed by 874

Abstract

London rocket (Sisymbrium irio) is a wild green consumed globally, yet its phytochemical composition remains underexplored. In this study, we analyzed the leaves of wild S. irio plants and those grown in controlled environments (GCE) with varying electrical conductivities (EC) and light spectra. Plants were assessed for growth, phenolic content, vitamin C, antioxidant activity, glucosinolates, and antiproliferative effects against HT-29 human colorectal cancer cells. The optimal biomass yield occurred at the EC levels of 3.0–3.5 dS m⁻¹ under Valoya^® LED light. Wild plants showed higher antioxidant activity (DPPH and ABTS assays) than GCE samples, with values of 8.03–8.67 and 6.49–6.81 mmol TE per 100 g dry weight, respectively. The vitamin C range was 50.7–84.3 and 84.5–186.9 mg 100 g⁻¹ fresh weight for GCE and wild samples, respectively. Phenolic content was higher in wild plants than in the GCE ones, with apigetrin as the primary phenolic compound. The MTT assay showed that ethanol extracts from wild plants weakly inhibited HT-29 cell growth, with a GI₅₀ of 210–380 µg mL⁻¹ after 72 h of cells exposure to plant extracts. Principal Component Analysis suggested that EC and UV exposure increase the antioxidant activity, total phenolics, and glucosinolates in wild plants, offering insights into the bioactive profiles of S. irio leaves. Full article

(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)

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17 pages, 2255 KiB

Open AccessArticle

Antioxidant Properties of Maqui Berry Extract (Aristotelia chilensis (Mol.) Stuntz) and Its Potential Photoprotective Role on Human Skin Fibroblasts

by Marta Wacewicz-Muczyńska, Justyna Moskwa, Anna Puścion-Jakubik, Sylwia K. Naliwajko, Marek Niczyporuk and Katarzyna Socha

Molecules 2023, 28(23), 7802; https://doi.org/10.3390/molecules28237802 - 27 Nov 2023

Cited by 5 | Viewed by 3449

Abstract

Maqui berry (Aristotelia chilensis) is characterized by antioxidant and anti-inflammatory properties. The aim of this study was to evaluate the effect of maqui berry extracts on human skin fibroblasts (NHSFs) exposed to ultraviolet radiation (UVB). The photoprotective properties of the extracts were investigated via the determination of the total polyphenolic content (TPC) and antioxidant capacity (DPPH), and the chemical composition was assessed. The chemical purity of the extracts was studied via the evaluation of the toxic elements level. The water extract (MWE 57.75 ± 0.44 mg GAE/g) had the highest mean polyphenol content. The water (MWE) and ethanol (MEE70) extracts had the highest inhibitory activities against DPPH radical formation (283.63 ± 7.29 and 284.60 ± 4.31 mg Tx/L, respectively). The analyzed extracts were found to be safe in terms of toxic elements (arsenic, cadmium, lead). The tested extracts of maqui berry did not cause a cytotoxic effect on NHSF cells after 24, 48, and 72 h of incubation. When the NHSF cells were exposed to UVB radiation in the presence of maqui extracts, their viability was increased or maintained. The maqui berry extracts had a slightly protective effect against skin damage caused by UVB radiation. These were preliminary studies that require further research to determine which maqui compounds correspond with the photoprotective activity. Full article

(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)

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19 pages, 15683 KiB

Open AccessArticle

Antidiabetic Activity, Molecular Docking, and ADMET Properties of Compounds Isolated from Bioactive Ethyl Acetate Fraction of Ficus lutea Leaf Extract

by Oyinlola O. Olaokun and Muhammad S. Zubair

Molecules 2023, 28(23), 7717; https://doi.org/10.3390/molecules28237717 - 22 Nov 2023

Cited by 18 | Viewed by 4678

Abstract

Diabetes contributes to the rising global death rate. Despite scientific advancements in understanding and managing diabetes, no single therapeutic agent has been identified to effectively treat and prevent its progression. Consequently, the exploration for new antidiabetic therapeutics continues. This study aimed to investigate the antidiabetic bioactive ethyl acetate fraction of F. lutea at the molecular level to understand the molecular interactions and ligand-protein binding. To do this, the fraction underwent column chromatography fractionation to yield five compounds: lupeol, stigmasterol, α-amyrin acetate, epicatechin, and epiafzelechin. These compounds were evaluated in vitro through α-glucosidase inhibition and glucose utilization assays in C2C12 muscle and H-4-11-E liver cells using standard methods. In silico analysis was conducted using molecular docking and ADMET studies. Epicatechin exhibited the most potent α-glucosidase inhibition (IC₅₀ = 5.72 ± 2.7 µg/mL), while epiafzelechin stimulated superior glucose utilization in C2C12 muscle cells (33.35 ± 1.8%) and H-4-11-E liver cells (46.7 ± 1.2%) at a concentration of 250 µg/mL. The binding energies of the isolated compounds for glycogen phosphorylase (1NOI) and α-amylase (1OSE) were stronger (<−8.1) than those of the positive controls. Overall, all tested compounds exhibited characteristics indicative of their potential as antidiabetic agents; however, toxicity profiling predicted epiafzelechin and epicatechin as better alternatives. The ethyl acetate fraction and its compounds, particularly epiafzelechin, showed promise as antidiabetic agents. However, further comprehensive studies are necessary to validate these findings. Full article

(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)

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27 pages, 7692 KiB

Open AccessArticle

Anti-Inflammatory Effects of Minor Cannabinoids CBC, THCV, and CBN in Human Macrophages

by Esmaeel Ghasemi Gojani, Bo Wang, Dong-Ping Li, Olga Kovalchuk and Igor Kovalchuk

Molecules 2023, 28(18), 6487; https://doi.org/10.3390/molecules28186487 - 7 Sep 2023

Cited by 13 | Viewed by 7961

Abstract

Inflammation is a natural response of the body to signals of tissue damage or infection caused by pathogens. However, when it becomes imbalanced, it can lead to various disorders such as cancer, obesity, cardiovascular problems, neurological conditions, and diabetes. The endocannabinoid system, which is present throughout the body, plays a regulatory role in different organs and influences functions such as food intake, pain perception, stress response, glucose tolerance, inflammation, cell growth and specialization, and metabolism. Phytocannabinoids derived from Cannabis sativa can interact with this system and affect its functioning. In this study, we investigate the mechanisms underlying the anti-inflammatory effects of three minor phytocannabinoids including tetrahydrocannabivarin (THCV), cannabichromene (CBC), and cannabinol (CBN) using an in vitro system. We pre-treated THP-1 macrophages with different doses of phytocannabinoids or vehicle for one hour, followed by treating the cells with 500 ng/mL of LPS or leaving them untreated for three hours. To induce the second phase of NLRP3 inflammasome activation, LPS-treated cells were further treated with 5 mM ATP for 30 min. Our findings suggest that the mitigation of the PANX1/P2X7 axis plays a significant role in the anti-inflammatory effects of THCV and CBC on NLRP3 inflammasome activation. Additionally, we observed that CBC and THCV could also downregulate the IL-6/TYK-2/STAT-3 pathway. Furthermore, we discovered that CBN may exert its inhibitory impact on the assembly of the NLRP3 inflammasome by reducing PANX1 cleavage. Interestingly, we also found that the elevated ADAR1 transcript responded negatively to THCV and CBC in LPS-macrophages, indicating a potential involvement of ADAR1 in the anti-inflammatory effects of these two phytocannabinoids. THCV and CBN inhibit P-NF-κB, downregulating proinflammatory gene transcription. In summary, THCV, CBC, and CBN exert anti-inflammatory effects by influencing different stages of gene expression: transcription, post-transcriptional regulation, translation, and post-translational regulation. Full article

(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)

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19 pages, 3038 KiB

Open AccessReview

Natural Products as Modulators of Aryl Hydrocarbon Receptor Signaling in Atopic Dermatitis Management

by Jangho Lee, Hyo-Kyoung Choi, Hee Soon Shin and Gun-Dong Kim

Molecules 2024, 29(24), 5951; https://doi.org/10.3390/molecules29245951 - 17 Dec 2024

Viewed by 1246

Abstract

Atopic dermatitis (AD) is a chronic inflammatory skin condition characterized by immune dysregulation, skin barrier dysfunction, and a significant patient burden. Recent studies have highlighted the aryl hydrocarbon receptor (AhR) as a promising therapeutic target for AD management because of its pivotal role in modulating immune responses and maintaining skin barrier integrity. The dysfunction of the AhR pathway has been linked to AD pathogenesis, emphasizing the need for therapies that can restore its regulatory functions. Natural products have emerged as potential modulators of the AhR and are effective and safe alternatives to conventional treatments. Compounds such as curcumin, resveratrol, quercetin, and microbial metabolites have demonstrated the ability to activate AhR, reduce inflammation, and promote skin barrier function. These natural agents have fewer side effects and enhance patient compliance compared with conventional therapies, making them attractive candidates for long-term AD management. The integration of natural products targeting the AhR pathway provides a multifaceted approach that alleviates symptoms, addresses underlying disease mechanisms, and promotes sustainable improvements in skin health. This review highlights the therapeutic potential of natural AhR modulators and their potential roles in enhancing patient outcomes through novel integrative treatment strategies. Full article

(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)

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