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Discovering New Natural Compounds with Pharmacological or Biotechnological Applications

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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 2021) | Viewed by 36116

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Special Issue Editors

Dr. Maria do Carmo Barreto

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Guest Editor

cE3C-ABG/Faculty of Sciences and Technology-Azores University, 9501-801 Ponta Delgada, Portugal
Interests: bioactive compounds; marine natural products; enzyme inhibition; antiaging activity; cholinesterase inhibitors; mechanisms of action

Dr. Laila Moujir Moujir

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Co-Guest Editor

Departamento de Bioquímica, Microbiología, Genética y Biologia Celular, Facultad de Farmacia, Universidad de La Laguna, La Laguna, Spain
Interests: antimicrobial activity; secondary metabolites; biological evaluation; cytotoxic activity; mechanism of action
Special Issues, Collections and Topics in MDPI journals

Prof. Dr. Nelson Simões

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Co-Guest Editor

CBA, Faculty of Sciences and Technology, University of Azores, 9501-801 Ponta Delgada, Portugal
Interests: host–parasite interaction; effector molecules; enzymes; mode of action; insecticidal activity

Special Issue Information

Dear Colleagues,

Nature is the most significant source of novel compounds for pharmacological and biotechnological uses. Millions of years of evolution, in the presence of environmental stress, resulted in the development of a wide array of compounds conferring competitive advantages to the organisms which synthesize them. These molecules, as diverse as peptides or small organic molecules, often act as protection against pathogens, predators, competitors, deleterious oxidations, thermal stress, and desiccation, among others. This can lead to the discovery of compounds with antibacterial, antiviral, anticancer, anti-inflammatory, anticholinesterasic, antioxidant, antiaging, antifouling, and a variety of other activities. There are also interesting biotechnological applications to be found in natural sources, such as molecules with adhesive properties or novel enzymes with the ability to function at extreme conditions and/or which are able to catalyze reactions of interest in industry, bioremediation, and biosensors. The present Special Issue aims to gather the most up-to-date research in the quest for natural compounds with applications in Pharmacology or Biotechnology, and also in the development of novel tools in this field.

Dr. Maria do Carmo Barreto
Dr. Laila Moujir Moujir
Prof. Dr. Nelson Simões
Guest Editors

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Keywords

Bioactive natural compounds
Bioactive peptides
Natural drug scaffolds
Natural compounds with biotechnological potential
Novel drugs of natural origin
Innovative strategies in drug discovery from natural sources
Novel enzymes with biotechnological interest

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Published Papers (9 papers)

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Research

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16 pages, 4879 KiB

Open AccessArticle

Bioinformatic Analysis of Genome-Predicted Bat Cathelicidins

by José Manuel Pérez de la Lastra, Patricia Asensio-Calavia, Sergio González-Acosta, Victoria Baca-González and Antonio Morales-delaNuez

Molecules 2021, 26(6), 1811; https://doi.org/10.3390/molecules26061811 - 23 Mar 2021

Cited by 13 | Viewed by 4196

Abstract

Bats are unique in their potential to serve as reservoir hosts for intracellular pathogens. Recently, the impact of COVID-19 has relegated bats from biomedical darkness to the frontline of public health as bats are the natural reservoir of many viruses, including SARS-Cov-2. Many bat genomes have been sequenced recently, and sequences coding for antimicrobial peptides are available in the public databases. Here we provide a structural analysis of genome-predicted bat cathelicidins as components of their innate immunity. A total of 32 unique protein sequences were retrieved from the NCBI database. Interestingly, some bat species contained more than one cathelicidin. We examined the conserved cysteines within the cathelin-like domain and the peptide portion of each sequence and revealed phylogenetic relationships and structural dissimilarities. The antibacterial, antifungal, and antiviral activity of peptides was examined using bioinformatic tools. The peptides were modeled and subjected to docking analysis with the region binding domain (RBD) region of the SARS-CoV-2 Spike protein. The appearance of multiple forms of cathelicidins verifies the complex microbial challenges encountered by these species. Learning more about antiviral defenses of bats and how they drive virus evolution will help scientists to investigate the function of antimicrobial peptides in these species. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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16 pages, 1109 KiB

Open AccessArticle

Withanolide-Type Steroids from Withania aristata as Potential Anti-Leukemic Agents

by Laila M. Moujir, Gabriel G. Llanos, Liliana Araujo, Angel Amesty, Isabel L. Bazzocchi and Ignacio A. Jiménez

Molecules 2020, 25(23), 5744; https://doi.org/10.3390/molecules25235744 - 5 Dec 2020

Cited by 10 | Viewed by 3412

Abstract

Leukemia is a blood or bone marrow cancer with increasing incidence in developed regions of the world. Currently, there is an ongoing need for novel and safe anti-leukemic agents, as no fully effective chemotherapy is available to treat this life-threatening disease. Herein, are reported the isolation, structural elucidation, and anti-leukemic evaluation of twenty-nine withanolide-type steroids (1–29) from Withania aristata. Among them, the new isolated withanolides, withaperoxidins A–D (1–4) have an unusual six-membered cyclic peroxide moiety on the withasteroid skeleton as a structural novelty. Their structures have been elucidated by means of spectroscopic analyses, including 2D NMR experiments. In addition, extensive structure–activity relationships and in silico ADME studies were employed to understand the pharmacophore and pharmacokinetic properties of this series of withasteroids. Compounds 15, 16, and 22 together with withaferin A (14) were identified as having improved antiproliferative effect (IC₅₀ ranging from 0.2 to 0.7 μM) on human leukemia HL-60 cell lines compared with the reference drug, etoposide. This cytotoxic potency was also coupled with good selectivity index (SI 33.0–9.2) on non-tumoral Vero cell line and in silico drug likeness. These findings revealed that these natural withasteroids are potential candidates as chemotherapeutic agents in the treatment of leukemia. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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15 pages, 2392 KiB

Open AccessArticle

Ethanol Extract of Campsis grandiflora Flower and Its Organic Acid Components Have Inhibitory Effects on Autoinducer Type 1 Quorum Sensing

by Juanmei Zhang, Fenghua Xu, Lingling Yao, Leyu Wang, Miao Wang and Gang Wang

Molecules 2020, 25(20), 4727; https://doi.org/10.3390/molecules25204727 - 15 Oct 2020

Cited by 6 | Viewed by 2869

Abstract

Chinese herbs are a useful resource bank for natural drug development, and have attracted considerable attention to exploit quorum sensing inhibitors (QSIs). This study was designed to screen QSIs from raw Chinese herb materials. Of the 38 common herbs examined, the ethanol extract of Campsis grandiflora flower had the strongest QSI activity. The C. grandiflora flower ethanol extract (CFEE) was purified by HPD600, and the QSI activities were examined in further detail. CFEE inhibited violacein production of Chromobacterium violaceum 026 in a dose-dependent manner, and inhibit the swarming abilities of Escherichia coli K-12 and Pseudomonas aeruginosa PAO1. Furthermore, CFEE could inhibited biofilm formation and destroyed mature biofilms of E. coli K-12 and P. aeruginosa PAO1. The composition of CFEE was determined by UPLC-MS/MS to distinguish active QSI compounds, and 21 compounds were identified. In addition to gallic acid and caffeic acid, two organic acids, malic acid and succinic acid, were confirmed for the first time to have autoinducer type 1 QSI activities. Therefore, CFEE is a potential QSI that could be used as a novel antimicrobial agent and should be considered for medicinal development. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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11 pages, 2646 KiB

Open AccessArticle

Inhibitory Activity of Quercetin 3-O-Arabinofuranoside and 2-Oxopomolic Acid Derived from Malus domestica on Soluble Epoxide Hydrolase

by In Sook Cho, Jang Hoon Kim, Yunjia Lin, Xiang Dong Su, Jong Seong Kang, Seo Young Yang and Young Ho Kim

Molecules 2020, 25(18), 4352; https://doi.org/10.3390/molecules25184352 - 22 Sep 2020

Cited by 9 | Viewed by 2972

Abstract

Flavonoids and triterpenoids were revealed to be the potential inhibitors on soluble epoxide hydrolase (sEH). The aim of this study is to reveal sEH inhibitors from Fuji apples. A flavonoid and three triterpenoids derived from the fruit of Malus domestica were identified as quercetin-3-O-arabinoside (1), ursolic acid (2), corosolic acid (3), and 2-oxopomolic acid (4). They had half-maximal inhibitory concentration of the inhibitors (IC₅₀) values of 39.3 ± 3.4, 84.5 ± 9.5, 51.3 ± 4.9, and 11.4 ± 2.7 μM, respectively, on sEH. The inhibitors bound to allosteric sites of enzymes in mixed (1) and noncompetitive modes (2–4). Molecular simulations were carried out for inhibitors 1 and 4 to calculate the binding force of ligands to receptors. The inhibitors bound to the left (1) and right (4) pockets next to the enzyme’s active site. Based on analyses of their molecular docking and dynamics, it was shown that inhibitors 1 and 4 can stably bind sEH at 1 bar and 300 K. Finally, inhibitors 1 and 4 are promising candidates for further studies using cell-based assays and in vivo cardiovascular tests. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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16 pages, 3988 KiB

Open AccessArticle

Chemical Fingerprinting, Isolation and Characterization of Polyphenol Compounds from Heliotropium taltalense (Phil.) I.M. Johnst and Its Endothelium-Dependent Vascular Relaxation Effect in Rat Aorta

by Ruth E. Barrientos, Mario J. Simirgiotis, Javier Palacios, Adrián Paredes, Jorge Bórquez, Alejandra Bravo and Fredi Cifuentes

Molecules 2020, 25(14), 3105; https://doi.org/10.3390/molecules25143105 - 8 Jul 2020

Cited by 16 | Viewed by 3372

Abstract

Heliotropium taltalense is an endemic species of the northern coast of Chile and is used as folk medicine. The polyphenolic composition of the methanolic and aqueous extract of the endemic Chilean species was investigated using Ultrahigh-Performance Liquid Chromatography, Heated Electrospray Ionization and Mass Spectrometry (UHPLC-Orbitrap-HESI-MS). Fifty-three compounds were detected, mainly derivatives of benzoic acid, flavonoids, and some phenolic acids. Furthermore, five major compounds were isolated by column chromatography from the extract, including four flavonoids and one geranyl benzoic acid derivative, which showed vascular relaxation and were in part responsible for the activity of the extracts. Since aqueous extract of H. taltalense (83% ± 9%, 100 μg/mL) produced vascular relaxation through an endothelium-dependent mechanism in rat aorta, and the compounds rhamnocitrin (89% ± 7%; 10⁻⁴ M) and sakuranetin (80% ± 6%; 10⁻⁴ M) also caused vascular relaxation similar to the extracts of H. taltalense, these pure compounds are, to some extent, responsible for the vascular relaxation. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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17 pages, 1334 KiB

Open AccessArticle

Phenolic Fingerprinting, Antioxidant, and Deterrent Potentials of Persicaria maculosa Extracts

by Luisa Quesada-Romero, Carlos Fernández-Galleguillos, Jan Bergmann, María-Eugenia Amorós, Felipe Jiménez-Aspee, Andrés González, Mario Simirgiotis and Carmen Rossini

Molecules 2020, 25(13), 3054; https://doi.org/10.3390/molecules25133054 - 3 Jul 2020

Cited by 9 | Viewed by 3652

Abstract

Persicaria maculosa (Polygonaceae) (known as lady’s thumb) is an annual morphologically variable weed that is widely distributed in Chile. The purpose of this study was to investigate the antifeedant potential of methanolic (MeOH), ethanolic (EtOH), and dichloromethane (DCM) extracts from the aerial parts of this plant collected in the Valparaíso and Curicó provinces (Chile) and relate this activity to the antioxidant capacity and the presence of phenolic compounds in the extracts. A phenolic profile based on HPLC-ESI-MS/MS allowed the identification of 26 phenolic compounds, most of them glycosyl derivatives of isorhamnetin, quercetin, and kaempferol. In addition, the total phenolic content (TP), total flavonoids (TF), and antioxidant activity measured by 2,2-diphenyl-1-picrylhydrazyl (DPPH), superoxide anion scavenging (O₂⁻), ferric-reducing antioxidant power (FRAP), and cupric-reducing antioxidant capacity (CUPRAC) of the extracts are reported. The antifeedant potentials of the plant extracts were tested against Epilachna paenulata, Pseudaletia adultera, Macrosiphum euphorbiae, and Diaphorina citri insects for the first time. The activity against the aphid M. euphorbiae was significant for the DCM extracts of plants from Valparaíso and Curicó (settling % = 23% ± 4% and 23% ± 5%, respectively). The antifeedant activities against the beetle E. paenulata and the lepidoptera P. adultera were significant for Valparaíso extracts, especially when tested against E. Paenulata (IFP = 1.0 ± 0.0). Finally, the MeOH and EtOH extracts from Valparaíso plants reduced the diet consumption of the psilid D. citri (p < 0.05). The results showed that P. maculosa is a good source of flavonoids with some antioxidant capacities and has potential interest as botanical eco-friendly alternative with deterrent activity. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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15 pages, 627 KiB

Open AccessArticle

Ameliorative Effects of Honey, Propolis, Pollen, and Royal Jelly Mixture against Chronic Toxicity of Sumithion Insecticide in White Albino Rats

by Atef M.K. Nassar, Yehia M.M. Salim, Khalid S.A. Eid, Hazem M. Shaheen, Abdullah A. Saati, Helal F. Hetta, Amr Elmistekawy and Gaber El-Saber Batiha

Molecules 2020, 25(11), 2633; https://doi.org/10.3390/molecules25112633 - 5 Jun 2020

Cited by 22 | Viewed by 5302

Abstract

Sumithion (Fenitrothion) (SUM) is an organophosphorus insecticide used to combat a wide variety of plant pests. Exposure to SUM causes significant toxicity to the brain, liver, kidney, and reproductive organs through, for example, binding to DNA, and it induces DNA damage, which ends with oxidative stress. Therefore, the present study aimed to examine the protective role of bee products: a mixture of honey, propolis, palm pollen, and royal jelly (HPPJ) against SUM-induced toxicity. Twenty-four male albino rats (Rattus norvegicus) were classified into four groups, each containing six rats: control (corn oil), SUM (85 mg/kg; 1/20 LD₅₀), HPPJ, and SUM + HPPJ once daily for 28 consecutive days. Blood samples were gently collected in sterilized ethylenediaminetetraacetic acid (EDTA) tubes for blood picture analyses and tubes without anticoagulant for serum isolation. Serum was used for assays of enzymatic and biochemical characteristics. The results revealed that SUM increased the weights of the liver, kidney, and brain as well as the enzymatic activity of glutathione peroxidase (GP), serum superoxide dismutase (SOD), and glutathione-S-transferase (GST). Additionally, SUM significantly increased the activity of lactate dehydrogenase (LDH), alkaline phosphatase (ALP), and γ-glutamyltransferase (γ-GT) and glucose, uric acid, and creatinine contents, while decreasing the acetylcholine esterase (AChE) activity and total lipids and total protein content. Furthermore, because of the inclusion of phenolic, flavonoids, terpenoids, and sugars, the HPPJ mixture counteracted the hematological, renal, and hepatic toxicity of SUM exposure. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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29 pages, 2593 KiB

Open AccessReview

Asparagopsis Genus: What We Really Know About Its Biological Activities and Chemical Composition

by José M. S. Ponte, Ana M. L. Seca and Maria Carmo Barreto

Molecules 2022, 27(6), 1787; https://doi.org/10.3390/molecules27061787 - 9 Mar 2022

Cited by 13 | Viewed by 5495

Abstract

Although the genus Asparagopsis includes only two taxonomically accepted species, the published literature is unanimous about the invasive nature of this genus in different regions of the globe, and about the availability of large amounts of biomass for which it is important to find a commercial application. This review shows that extracts from Asparagospsis species have already been evaluated for antioxidant, antibacterial, antifungal, antiviral, antifouling, cytotoxic, antimethanogenic and enzyme-inhibitory activity. However, the tables presented herein show, with few exceptions, that the activity level displayed is generally low when compared with positive controls. Studies involving pure compounds being identified in Asparagopsis species are rare. The chemical compositions of most of the evaluated extracts are unknown. At best, the families of the compounds present are suggested. This review also shows that the volatile halogenated compounds, fatty acids and sterols that are biosynthesized by the Asparagopsis species are relatively well known. Many other non-volatile metabolites (halogen compounds, flavonoids, other phenolic compounds) seem to be produced by these species, but their chemical structures and properties haven’been investigated. This shows how much remains to be investigated regarding the secondary-metabolite composition of these species, suggesting further studies following more targeted methodologies. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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33 pages, 12836 KiB

Open AccessReview

Phytochemicals with Added Value from Morella and Myrica Species

by Gonçalo P. Rosa, Bruno J. C. Silva, Ana M. L. Seca, Laila M. Moujir and Maria Carmo Barreto

Molecules 2020, 25(24), 6052; https://doi.org/10.3390/molecules25246052 - 21 Dec 2020

Cited by 9 | Viewed by 3746

Abstract

Terrestrial plants, due to their sessile nature, are highly exposed to environmental pressure and therefore need to produce very effective molecules that enable them to survive all the threats. Myrica and Morella (Myricaceae) are taxonomically close genera, which include species of trees or shrubs with edible fruits that exhibit relevant uses in traditional medicine. For instance, in Chinese or Japanese folk medicine, they are used to treat diarrhea, digestive problems, headache, burns, and skin diseases. A wide array of compounds isolated from different parts of Myrica and/or Morella species possess several biological activities, like anticancer, antidiabetic, anti-obesity, and cardio-/neuro-/hepatoprotective activities, both in vitro and in vivo, with myricanol, myricitrin, quercitrin, and betulin being the most promising. There are still many other compounds isolated from both genera whose biological activities have not been evaluated, which represents an excellent opportunity to discover new applications for those compounds and valorize Morella/Myrica species. Full article

(This article belongs to the Special Issue Discovering New Natural Compounds with Pharmacological or Biotechnological Applications)

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