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Natural Products: Valuable Bioactive Biopharmaceuticals In Vitro and In Vivo...
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Natural Products: Valuable Bioactive Biopharmaceuticals In Vitro and In Vivo Biological Studies

A special issue of Biomolecules (ISSN 2218-273X). This special issue belongs to the section "Natural and Bio-derived Molecules".

Deadline for manuscript submissions: closed (31 December 2023) | Viewed by 25435

Special Issue Editors

Dr. Patrícia Rijo

E-Mail Website
Guest Editor
Center for Research in Biosciences & Health Technologies (CBIOS), Universidade Lusófona de Humanidades e Tecnologias, 1749-024 Lisboa, Portugal
Interests: bioactive diterpenoids; bioactive natural products; bioactive natural sources
Special Issues, Collections and Topics in MDPI journals
Dr. Tomasz Kowalczyk

E-Mail Website
Guest Editor
Department of Molecular Biotechnology and Genetics, Faculty of Biology and Environmental Protection, University of Lodz, 90-237 Lodz, Poland
Interests: plant biotechnology; plant molecular biology; genetic engineering; biomedicine; recombinant proteins; medicinal plants; hairy roots
Dr. Przemysław Sitarek

E-Mail Website
Guest Editor
Department of Biology and Pharmaceutical Botany, Medical University of Lodz, Muszyńskiego 1, 90-151 Lodz, Poland
Interests: plant biotechnology; hairy roots; apoptosis induction; pharmaceutical botany; medicinal plants; molecular biology

Special Issue Information

Dear Colleagues,

Although “what is natural is not always better”, there is no doubt that substances of natural origin have led to many breakthroughs in medicine. Natural compounds of plant or animal origin have been long used in medicine for the treatment of many diseases, although they do not always directly serve as drugs. Thanks to these compounds, science has instructions for the development of potential new medicines for use in many branches of medicine or industry. In addition, natural compounds are often safer for the body and have no side effects compared to synthetic drugs. Natural compounds are the source of clinical agents used as standard ingredients in many anticancer therapies  and chemotherapeutics because they act on various molecular mechanisms in the cell. Furthermore, most ultimately lead to the inhibition of cell division or death by apoptosis. Other studies focus on the safety and solubility of drugs based on natural substances. This Special Issue aims to evaluate the effects of naturally derived compounds through activating various signaling pathways in cells in in vivo and in vitro studies. We welcome to original and high-quality work in various fields related to natural products, such as:

  • Natural products’ isolation and identification;
  • Bioactivity of natural products, including well-defined total extracts in in vitro studies;
  • Bioactivity of natural products in in vivo studies;
  • Pharmaceutical tools applied to natural products, such as drug delivery, and computational studies, among others;
  • Activation of signaling pathways by natural products.

Dr. Patrícia Rijo
Dr. Tomasz Kowalczyk
Dr. Przemysław Sitarek
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 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. Biomolecules is an international peer-reviewed open access monthly 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

  • natural products
  • isolation and identification
  • biological activity
  • apoptosis induction
  • in vivo
  • computational studies

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Published Papers (6 papers)

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Research

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26 pages, 1349 KiB  
Article
Antimicrobial Potential of Different Isolates of Chaetomium globosum Combined with Liquid Chromatography Tandem Mass Spectrometry Chemical Profiling
by Marwa S. Goda, Noura El-Kattan, Mohamed A. Abdel-Azeem, Kamilia A. M. Allam, Jihan M. Badr, Nourelhuda Ahmed Nassar, Ahmad J. Almalki, Majed Alharbi, Sameh S. Elhady and Enas E. Eltamany
Biomolecules 2023, 13(12), 1683; https://doi.org/10.3390/biom13121683 - 21 Nov 2023
Cited by 7 | Viewed by 2407
Abstract
The antimicrobial resistance of pathogenic microorganisms against commercial drugs has become a major problem worldwide. This study is the first of its kind to be carried out in Egypt to produce antimicrobial pharmaceuticals from isolated native taxa of the fungal Chaetomium, followed [...] Read more.
The antimicrobial resistance of pathogenic microorganisms against commercial drugs has become a major problem worldwide. This study is the first of its kind to be carried out in Egypt to produce antimicrobial pharmaceuticals from isolated native taxa of the fungal Chaetomium, followed by a chemical investigation of the existing bioactive metabolites. Here, of the 155 clinical specimens in total, 100 pathogenic microbial isolates were found to be multi-drug resistant (MDR) bacteria. The Chaetomium isolates were recovered from different soil samples, and wild host plants collected from Egypt showed strong inhibitory activity against MDR isolates. Chaetomium isolates displayed broad-spectrum antimicrobial activity against C. albicans, Gram-positive, and Gram-negative bacteria, with inhibition zones of 11.3 to 25.6 mm, 10.4 to 26.0 mm, and 10.5 to 26.5 mm, respectively. As a consecutive result, the minimum inhibitory concentration (MIC) values of Chaetomium isolates ranged from 3.9 to 62.5 µg/mL. Liquid chromatography combined with tandem mass spectrometry (LC-MS/MS) analysis was performed for selected Chaetomium isolates with the most promising antimicrobial potential against MDR bacteria. The LC-MS/MS analysis of Chaetomium species isolated from cultivated soil at Assuit Governate, Upper Egypt (3), and the host plant Zygophyllum album grown in Wadi El-Arbaein, Saint Katherine, South Sinai (5), revealed the presence of alkaloids as the predominant bioactive metabolites. Most detected bioactive metabolites previously displayed antimicrobial activity, confirming the antibacterial potential of selected isolates. Therefore, the Chaetomium isolates recovered from harsh habitats in Egypt are rich sources of antimicrobial metabolites, which will be a possible solution to the multi-drug resistant bacteria tragedy. Full article
(This article belongs to the Special Issue Natural Products: Valuable Bioactive Biopharmaceuticals In Vitro and In Vivo Biological Studies)
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25 pages, 9085 KiB  
Article
Antioxidant, LC-MS Analysis, and Cholinesterase Inhibitory Potentials of Phoenix dactylifera Cultivar Khudari: An In Vitro Enzyme Kinetics and In Silico Study
by Sami G. Almalki, Yaser E. Alqurashi, Wael Alturaiki, Saud Almawash, Amir Khan, Parvej Ahmad and Danish Iqbal
Biomolecules 2023, 13(10), 1474; https://doi.org/10.3390/biom13101474 - 30 Sep 2023
Cited by 3 | Viewed by 2399
Abstract
We evaluated the therapeutic potentials of Khudari fruit pulp, a functional food and cultivar of Phoenix dactylifera, against neurological disorders. Our results demonstrate a good amount of phytochemicals (total phenolic content: 17.77 ± 8.21 µg GA/mg extract) with a high antioxidant potential [...] Read more.
We evaluated the therapeutic potentials of Khudari fruit pulp, a functional food and cultivar of Phoenix dactylifera, against neurological disorders. Our results demonstrate a good amount of phytochemicals (total phenolic content: 17.77 ± 8.21 µg GA/mg extract) with a high antioxidant potential of aqueous extract (DPPH assay IC50 = 235.84 ± 11.65 µg/mL) and FRAP value: 331.81 ± 4.56 µmol. Furthermore, the aqueous extract showed the marked inhibition of cell-free acetylcholinesterase (electric eel) with an IC50 value of 48.25 ± 2.04 µg/mL, and an enzyme inhibition kinetics study revealed that it exhibits mixed inhibition. Thereafter, we listed the 18 best-matched phytochemical compounds present in aqueous extract through LC/MS analysis. The computational study revealed that five out of eighteen predicted compounds can cross the BBB and exert considerable aqueous solubility. where 2-{5-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}ethanol (MDIE) indicates an acceptable LD50. value. A molecular docking study exhibited that the compounds occupied the key residues of acetylcholinesterase with ΔG range between −6.91 and −9.49 kcal/mol, where MDIE has ∆G: −8.67 kcal/mol, which was better than that of tacrine, ∆G: −8.25 kcal/mol. Molecular dynamics analyses of 100 ns supported the stability of the protein–ligand complexes analyzed through RMSD, RMSF, Rg, and SASA parameters. TRP_84 and GLY_442 are the most critical hydrophobic contacts for the complex, although GLU_199 is important for H-bonds. Prime/MM-GBSA showed that the protein–ligand complex formed a stable confirmation. These findings suggest that the aqueous extract of Khudari fruit pulp has significant antioxidant and acetylcholinesterase inhibition potentials, and its compound, MDIE, forms stably with confirmation with the target protein, though this fruit of Khudari dates can be a better functional food for the treatment of Alzheimer’s disease. Further investigations are needed to fully understand the therapeutic role of this plant-based compound via in vivo study. Full article
(This article belongs to the Special Issue Natural Products: Valuable Bioactive Biopharmaceuticals In Vitro and In Vivo Biological Studies)
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18 pages, 4085 KiB  
Article
Molecular and Pharmacokinetic Aspects of the Acetylcholinesterase-Inhibitory Potential of the Oleanane-Type Triterpenes and Their Glycosides
by Katarzyna Stępnik, Wirginia Kukula-Koch and Wojciech Płaziński
Biomolecules 2023, 13(9), 1357; https://doi.org/10.3390/biom13091357 - 6 Sep 2023
Cited by 2 | Viewed by 1587
Abstract
The acetylcholinesterase-inhibitory potential of the oleanane-type triterpenes and their glycosides from thebark of Terminalia arjuna (Combreatceae), i.e.,arjunic acid, arjunolic acid, arjungenin, arjunglucoside I, sericic acid and arjunetin, is presented. The studies are based on in silico pharmacokinetic and biomimetic studies, acetylcholinesterase (AChE)-inhibitory activity [...] Read more.
The acetylcholinesterase-inhibitory potential of the oleanane-type triterpenes and their glycosides from thebark of Terminalia arjuna (Combreatceae), i.e.,arjunic acid, arjunolic acid, arjungenin, arjunglucoside I, sericic acid and arjunetin, is presented. The studies are based on in silico pharmacokinetic and biomimetic studies, acetylcholinesterase (AChE)-inhibitory activity tests and molecular-docking research. Based on the calculated pharmacokinetic parameters, arjunetin and arjunglucoside I are indicated as able to cross the blood–brain barrier. The compounds of interest exhibit a marked acetylcholinesterase inhibitory potential, which was tested in the TLC bioautography test. The longest time to reach brain equilibrium is observed for both the arjunic and arjunolic acids and the shortest one for arjunetin. All of the compounds exhibit a high and relatively similar magnitude of binding energies, varying from ca. −15 to −13 kcal/mol. The superposition of the most favorable positions of all ligands interacting with AChE is analyzed. The correlation between the experimentally determined IC50 values and the steric parameters of the molecules is investigated. The inhibition of the enzyme by the analyzed compounds shows their potential to be used as cognition-enhancing agents. For the most potent compound (arjunglucoside I; ARG), the kinetics of AChE inhibition were tested. The Michaelis–Menten constant (Km) for the hydrolysis of the acetylthiocholine iodide substrate was calculated to be 0.011 mM. Full article
(This article belongs to the Special Issue Natural Products: Valuable Bioactive Biopharmaceuticals In Vitro and In Vivo Biological Studies)
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Review

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16 pages, 1148 KiB  
Review
Anthocyanins: Molecular Aspects on Their Neuroprotective Activity
by César A. Zaa, Álvaro J. Marcelo, Zhiqiang An, José L. Medina-Franco and Marco A. Velasco-Velázquez
Biomolecules 2023, 13(11), 1598; https://doi.org/10.3390/biom13111598 - 31 Oct 2023
Cited by 28 | Viewed by 6114
Abstract
Anthocyanins are a type of flavonoids that give plants and fruits their vibrant colors. They are known for their potent antioxidant properties and have been linked to various health benefits. Upon consumption, anthocyanins are quickly absorbed and can penetrate the blood–brain barrier (BBB). [...] Read more.
Anthocyanins are a type of flavonoids that give plants and fruits their vibrant colors. They are known for their potent antioxidant properties and have been linked to various health benefits. Upon consumption, anthocyanins are quickly absorbed and can penetrate the blood–brain barrier (BBB). Research based on population studies suggests that including anthocyanin-rich sources in the diet lower the risk of neurodegenerative diseases. Anthocyanins exhibit neuroprotective effects that could potentially alleviate symptoms associated with such diseases. In this review, we compiled and discussed a large body of evidence supporting the neuroprotective role of anthocyanins. Our examination encompasses human studies, animal models, and cell cultures. We delve into the connection between anthocyanin bioactivities and the mechanisms underlying neurodegeneration. Our findings highlight how anthocyanins’ antioxidant, anti-inflammatory, and anti-apoptotic properties contribute to their neuroprotective effects. These effects are particularly relevant to key signaling pathways implicated in the development of Alzheimer’s and Parkinson’s diseases. In conclusion, the outcome of this review suggests that integrating anthocyanin-rich foods into human diets could potentially serve as a therapeutic approach for neurological conditions, and we identify promising avenues for further exploration in this area. Full article
(This article belongs to the Special Issue Natural Products: Valuable Bioactive Biopharmaceuticals In Vitro and In Vivo Biological Studies)
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21 pages, 1043 KiB  
Review
Iturin: A Promising Cyclic Lipopeptide with Diverse Applications
by Deepak A. Yaraguppi, Zabin K. Bagewadi, Ninganagouda R. Patil and Nitin Mantri
Biomolecules 2023, 13(10), 1515; https://doi.org/10.3390/biom13101515 - 12 Oct 2023
Cited by 34 | Viewed by 5647
Abstract
This comprehensive review examines iturin, a cyclic lipopeptide originating from Bacillus subtilis and related bacteria. These compounds are structurally diverse and possess potent inhibitory effects against plant disease-causing bacteria and fungi. Notably, Iturin A exhibits strong antifungal properties and low toxicity, making it [...] Read more.
This comprehensive review examines iturin, a cyclic lipopeptide originating from Bacillus subtilis and related bacteria. These compounds are structurally diverse and possess potent inhibitory effects against plant disease-causing bacteria and fungi. Notably, Iturin A exhibits strong antifungal properties and low toxicity, making it valuable for bio-pesticides and mycosis treatment. Emerging research reveals additional capabilities, including anticancer and hemolytic features. Iturin finds applications across industries. In food, iturin as a biosurfactant serves beyond surface tension reduction, enhancing emulsions and texture. Biosurfactants are significant in soil remediation, agriculture, wound healing, and sustainability. They also show promise in Microbial Enhanced Oil Recovery (MEOR) in the petroleum industry. The pharmaceutical and cosmetic industries recognize iturin’s diverse properties, such as antibacterial, antifungal, antiviral, anticancer, and anti-obesity effects. Cosmetic applications span emulsification, anti-wrinkle, and antibacterial use. Understanding iturin’s structure, synthesis, and applications gains importance as biosurfactant and lipopeptide research advances. This review focuses on emphasizing iturin’s structural characteristics, production methods, biological effects, and applications across industries. It probes iturin’s antibacterial, antifungal potential, antiviral efficacy, and cancer treatment capabilities. It explores diverse applications in food, petroleum, pharmaceuticals, and cosmetics, considering recent developments, challenges, and prospects. Full article
(This article belongs to the Special Issue Natural Products: Valuable Bioactive Biopharmaceuticals In Vitro and In Vivo Biological Studies)
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21 pages, 1014 KiB  
Review
Bioactive Compounds of Verbascum sinuatum L.: Health Benefits and Potential as New Ingredients for Industrial Applications
by Pauline Donn, Paula Barciela, Ana Perez-Vazquez, Lucia Cassani, Jesus Simal-Gandara and Miguel A. Prieto
Biomolecules 2023, 13(3), 427; https://doi.org/10.3390/biom13030427 - 24 Feb 2023
Cited by 12 | Viewed by 5771
Abstract
Verbascum sinuatum (V. sinuatum) is a plant belonging to the Scrophulariaceae family that has been used as an ingredient in traditional medicine infusions for the treatment of many diseases. The aerial part of this plant is a source of bioactive compounds, [...] Read more.
Verbascum sinuatum (V. sinuatum) is a plant belonging to the Scrophulariaceae family that has been used as an ingredient in traditional medicine infusions for the treatment of many diseases. The aerial part of this plant is a source of bioactive compounds, especially polyphenols and iridoids. Moreover, antioxidant activity studies have shown that V. sinuatum phenolic and flavonoid composition is higher than those in other plants of the same genus. V. sinuatum bioactive compound composition could vary according to the harvesting location, growing conditions of the plants, sample preparation methods, type and concentration of the extraction solvent, and the extraction methods. The obtention of these compounds can be achieved by different extraction techniques, most commonly, maceration, heat assisted extraction, and infusion. Nevertheless, since conventional extraction techniques have several drawbacks such as long times of extraction or use of large amounts of solvents, the use of green extraction techniques is suggested, without affecting the efficiency of the extraction. Moreover, V. sinuatum bioactive compounds have several biological activities, such as antioxidant, anticancer, cardiovascular, antimicrobial, antidiabetic, and neuroprotective activities, that may be increased by encapsulation. Since the bioactive compounds extracted from V. sinuatum present good potential as functional food ingredients and in the development of drugs or cosmetics, this review gives an approach of the possible incorporation of these compounds in the food and pharmacological industries. Full article
(This article belongs to the Special Issue Natural Products: Valuable Bioactive Biopharmaceuticals In Vitro and In Vivo Biological Studies)
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