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Bioactive Plant Extracts for Pharmaceutical, Nutraceutical and Cosmetic Applications

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

Deadline for manuscript submissions: closed (31 May 2023) | Viewed by 34353

Special Issue Editors


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Guest Editor
Department of Plant Production, College of Food and Agricultural Sciences, King Saud University, Riyadh 11451, Saudi Arabia
Interests: plant physiology; medicinal plants; natural products; secondary metabolites; stress physiology
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Department of Food Industries, Faculty of Agriculture, Damietta University, Damietta 34511, Egypt
Interests: plant biochemistry; bioactive compounds; antioxidants compounds; plants technology; nutritional value of plants; medicinal plants; natural products

Special Issue Information

Dear Colleagues,

Bioactive plant extracts represent an important topic for researchers working in the fields of plant identification, plant chemistry, natural products, the pharmaceutical industry, and international cosmetic firms.

This Special Issue aims to continue research on the identification of bioactive compounds available in plants. We are not limiting our scope to research articles as we are also looking for review articles in the field of bioactive compounds, advances in tissue culture applications in bioactive compounds, advances in the pharmaceutical applications of bioactive compounds, molecule identification, nutraceutical active materials, and cosmetic applications and product development.

The topics covered in this issue include, but are not limited to:

  • Bioactive compounds;
  • Plant extracts;
  • Pharmaceutical applications of bioactive compounds;
  • Nutraceutical applications of active compounds;
  • Cosmetic applications of bioactive compounds;
  • Product development in the field of pharmaceuticals and cosmetics;
  • Advances in tissue culture applications in bioactive compounds;
  • Molecule identification;
  • Nutraceutical active materials;
  • The identification of bioactive compounds available in plants;
  • Cosmetic applications and product development;
  • Product development in the pharmaceutical industry.

Prof. Dr. Hosam O. Elansary
Prof. Dr. Eman A. Mahmoud
Guest Editors

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Keywords

  • bioactive compounds
  • plant extracts
  • molecules identification
  • product development in the field of pharmaceuticals and cosmetics
  • nutraceutical active materials

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Published Papers (11 papers)

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Research

15 pages, 976 KiB  
Article
The Antibacterial Activity of Rhazya stricta Extracts against Klebsiella pneumoniae Isolated from Some Soil Invertebrates at High Altitudes
by Mohamed M. Hassan, Bander Albogami, Tarombera Mwabvu, Mohamed F. Awad, Roqayah H. Kadi, Alaa A. Mohamed, Jamal A. Al-Orabi, Montaser M. Hassan and Mohsen Mohamed Elsharkawy
Molecules 2023, 28(8), 3613; https://doi.org/10.3390/molecules28083613 - 21 Apr 2023
Cited by 2 | Viewed by 2002
Abstract
Klebsiella is a common dangerous pathogen for humans and animals and is widely present in the digestive system. The genus Klebsiella is ubiquitous, as it is endemic to surface water, soil, and sewage. In this study, 70 samples were obtained from soil-dwelling invertebrates [...] Read more.
Klebsiella is a common dangerous pathogen for humans and animals and is widely present in the digestive system. The genus Klebsiella is ubiquitous, as it is endemic to surface water, soil, and sewage. In this study, 70 samples were obtained from soil-dwelling invertebrates from September 2021 to March 2022 from Taif and Shafa in different altitudinal regions of Saudi Arabia. Fifteen of these samples were identified as Klebsiella spp. The Klebsiella isolates were genetically identified as Klebsiella pneumoniae using rDNA sequencing. The antimicrobial susceptibility of the Klebsiella isolates was determined. Amplification of virulence genes was performed using PCR. In this study, 16S rDNA sequencing showed a similarity from 98% to 100% with related K. pneumonia from the NCBI database, and the sequences were deposited in the NCBI GenBank under accession numbers ON077036 to ON077050. The growth inhibition properties of ethanolic and methanolic extracts of the medicinal plant Rhazya stricta’s leaves against K. pneumoniae strains using the minimum inhibitory concentration (MIC) method and disc diffusion were evaluated. In addition, the biofilm inhibitory potential of these extracts was investigated using crystal violet. HPLC analysis identified 19 components divided into 6 flavonoids, 11 phenolic acids, stilbene (resveratrol), and quinol, and revealed variations in the number of components and their quantities between extracts. Both extracts demonstrated interesting antibacterial properties against K. pneumoniae isolates. The 2 extracts also showed strong biofilm inhibitory activities, with percentages of inhibition extending from 81.5% to 98.7% and from 35.1% to 85.8% for the ethanolic and methanolic extracts, respectively. Rhazya stricta leaf extract revealed powerful antibacterial and antibiofilm activities against K. pneumoniae isolates and could be a good candidate for the treatment or prevention of K. pneumonia-related infections. Full article
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18 pages, 3873 KiB  
Article
Ameliorative Effect of Citrus Lemon Peel Extract and Resveratrol on Premature Ovarian Failure Rat Model: Role of iNOS/Caspase-3 Pathway
by Maysa A. Mobasher, Marwa T. Hassen, Rasha A. Ebiya, Norah A. Alturki, Ahmad Alzamami, Hanaa K. Mohamed, Nabil S. Awad, Dina Khodeer and Bosy A. Abd El-Motelp
Molecules 2023, 28(1), 122; https://doi.org/10.3390/molecules28010122 - 23 Dec 2022
Cited by 10 | Viewed by 3134
Abstract
Premature ovarian failure (POF) is described as a loss of oocytes and the absence of folliculogenesis and is considered an adverse effect of chemotherapeutic drugs, which leads to infertility. Subsequently, the existing inquiry was achieved by exploring the potential suspicious influences of lemon [...] Read more.
Premature ovarian failure (POF) is described as a loss of oocytes and the absence of folliculogenesis and is considered an adverse effect of chemotherapeutic drugs, which leads to infertility. Subsequently, the existing inquiry was achieved by exploring the potential suspicious influences of lemon peel extract (LPE), and resveratrol (RES) on cyclophosphamide (CPA) induced-POF. The results showed that CPA-induced POF significantly decreased serum estradiol (E2) and progesterone levels, along with a considerable rise in serum luteinizing hormone (LH) and follicle-stimulating hormone (FSH) levels. Moreover, CPA administration to rats significantly increased the serum level of Malondialdehyde (MDA) and significantly lowered the levels of reduced glutathione (GSH) and superoxide dismutase (SOD); in addition, it increased nuclear factor kappa B (NF-κB) levels, tumor necrosis factor-α (TNF-α), as well as cyclooxygenase 2 (COX-2) with the spread expression of inducible nitric oxide synthase (iNOS) mRNA levels and caspase-3 (Casp3) levels in ovarian tissues versus the control rats. However, treatment with LPE and RES suppressed the triggering of NF- κB pathways, evidenced by a considerable reduction in Casp3 & iNOS mRNA expression level and significant ameliorative effects in all evaluated parameters, as confirmed by the histological and immunohistochemical investigation when comparing the model group. In overall findings, both lemon peel extract and resveratrol can mitigate the adverse effects of CPA-induced POF. Most crucially, its combination therapy is a promising pharmacological agent for this disease. Full article
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18 pages, 2472 KiB  
Article
Molecular Analysis of the Melanogenesis Inhibitory Effect of Saponins-Rich Fraction of Argania spinosa Leaves Extract
by Myra O. Villareal, Thanyanan Chaochaiphat, Rachida Makbal, Chemseddoha Gadhi and Hiroko Isoda
Molecules 2022, 27(19), 6762; https://doi.org/10.3390/molecules27196762 - 10 Oct 2022
Cited by 5 | Viewed by 2508
Abstract
Plant saponins are abundant and diverse natural products with a great potential for use in drug-discovery research. Here, we evaluated extracts of saponins-rich fractions of argan leaves and argan oil extraction byproducts (shell, pulp, press cake) for their effect on melanogenesis. Results show [...] Read more.
Plant saponins are abundant and diverse natural products with a great potential for use in drug-discovery research. Here, we evaluated extracts of saponins-rich fractions of argan leaves and argan oil extraction byproducts (shell, pulp, press cake) for their effect on melanogenesis. Results show that from among the samples tested, only the saponins-rich fraction from leaves (ALS) inhibited melanin production in B16 murine melanoma (B16) cells. The mechanism of the melanogenesis inhibition was elucidated by determining the protein and mRNA expression of melanogenesis-associated enzymes tyrosinase (TYR), tyrosinase-related protein 1 (TRP1), and dopachrome tautomerase (DCT), and microphthalmia-associated transcription factor (MITF), and performing DNA microarray analysis. Results showed that 10 µg/mL ALS significantly inhibited melanogenesis in B16 cells and human epidermal melanocytes by 59% and 48%, respectively, without cytotoxicity. The effect of ALS on melanogenesis can be attributed to the decrease in TYR, TRP1, and MITF expression at the protein and mRNA levels. MITF inhibition naturally led to the downregulation of the expression of Tyr and Trp1 genes. Results of the DNA microarray analysis revealed the effect on melanogenesis-associated cAMP and Wnt signaling pathways’ genes. The results of this study suggest that ALS may be used in cosmeceuticals preparations for hyperpigmentation treatment. Full article
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15 pages, 4461 KiB  
Article
Beneficial Effect of Methanolic Extract of Frankincense (Boswellia Sacra) on Testis Mediated through Suppression of Oxidative Stress and Apoptosis
by Samir Abdulkarim Alharbi, Mohammed Asad, Kamal Eldin Ahmed Abdelsalam, Monjid Ahmed Ibrahim and Sunil Chandy
Molecules 2022, 27(15), 4699; https://doi.org/10.3390/molecules27154699 - 22 Jul 2022
Cited by 3 | Viewed by 2878
Abstract
Boswellia sacra oleo gum resin (Burseraceae) commonly known as frankincense is traditionally used in many countries for its beneficial effect on male fertility. This study explores its effect on the male reproductive system after a 60-day repeated administration at two different [...] Read more.
Boswellia sacra oleo gum resin (Burseraceae) commonly known as frankincense is traditionally used in many countries for its beneficial effect on male fertility. This study explores its effect on the male reproductive system after a 60-day repeated administration at two different doses to rats (in vivo) and on human Leydig cells (in vitro). The methanolic extract of B. sacra was analyzed for the presence of various constituents by preliminary phytochemical analysis and gas chromatography-mass spectrometry (GC-MS) while quantitative analysis of boswellic acids was done by high-performance liquid chromatography (HPLC). Administration of B. sacra extract to rats elevated the serum testosterone levels with an associated reduction in serum levels of FSH and LH. An increase in the activity of antioxidant enzymes, superoxide dismutase and catalase, was seen. A dose-dependent increase in the sperm count and sperm motility was also observed. The in vivo results were supported by changes in the expression of the Bcl-2 gene and caspase-3 gene in human Leydig cells in vitro. The results of this study support the traditional use of B. sacra to increase male fertility. Full article
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17 pages, 1393 KiB  
Article
Extraction and Fractionation of Prokinetic Phytochemicals from Chrozophora tinctoria and Their Bioactivities
by Arshad Iqbal, Ayaz Ali Sher, Naveed Muhammad, Syed Lal Badshah, Abdul-Hamid Emwas and Mariusz Jaremko
Molecules 2022, 27(13), 4321; https://doi.org/10.3390/molecules27134321 - 5 Jul 2022
Cited by 2 | Viewed by 2523
Abstract
Chrozophora tinctoria is an annual plant of the family Euphorbiaceae, traditionally used as a laxative, a cathartic and an emetic. A methanolic extract of Chrozophora tinctoria (MEC) whole plant and an n-butanol fraction of Chrozophora tinctoria (NBFC) were analyzed by gas chromatography–mass [...] Read more.
Chrozophora tinctoria is an annual plant of the family Euphorbiaceae, traditionally used as a laxative, a cathartic and an emetic. A methanolic extract of Chrozophora tinctoria (MEC) whole plant and an n-butanol fraction of Chrozophora tinctoria (NBFC) were analyzed by gas chromatography–mass spectrometry (GC-MS) to detect the phytochemicals. MEC and NBFC were tested for in vitro anti acetylcholinesterase (AChE) potential. The effect of both samples on intestinal propulsive movement and spasmolytic activity in the gastrointestinal tract (GIT) was also studied. About twelve compounds in MEC and three compounds in NBFC were tentatively identified through GC-MS. Some of them are compounds with known therapeutic activity, such as toluene; imipramine; undecane; 14-methyl-pentadecanoic acid methyl ester; and hexadecanoic acid. Both NBFC and MEC samples were checked for acute toxicity and were found to be highly toxic in a dose-dependent manner, causing diarrhea and emesis at 1 g/kg concentration in pigeons, with the highest lethargy and mortality above 3 g/kg. Both the samples of Chrozophora tinctoria revealed significant (p ≤ 0.01) laxative activity against metronidazole (7 mg/kg) and loperamide hydrochloride (4 mg/kg)-induced constipation. NBFC (81.18 ± 2.5%) and MEC (68.28 ± 2.4%) significantly increased charcoal meal intestinal transit compared to distal water (41.15 ± 4.3%). NBFC exhibited a significant relaxant effect (EC50 = 3.40 ± 0.20 mg/mL) in spontaneous rabbit jejunum as compared to MEC (EC50 = 4.34 ± 0.68 mg/kg). Similarly, the impact of NBFC on KCl-induced contraction was more significant than that of MEC (EC50 values of 7.22 ± 0.06 mg/mL and 7.47 ± 0.57 mg/mL, respectively). The present study scientifically validates the folk use of Chrozophora tinctoria in the management of gastrointestinal diseases such as constipation. Further work is needed to isolate the phytochemicals that act as diarrheal agents in Chrozophora tinctoria. Full article
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9 pages, 264 KiB  
Article
Evaluation of the Effect of Elite Jojoba Lines on the Chemical Properties of their Seed Oil
by Nahla A. Awad, Mohamed Eliraq, Emad H. El-Bassel, Ahmed S. M. Ismail, Yasser S. G. Abd El-Aziz, Mohamed S. Gawish, Reda M. Y. Zewail, Rokayya Sami, Ebtihal Khojah, Uguru Hilary, Maalem H. Al-Moalem and Khaled Sayed-Ahmed
Molecules 2022, 27(12), 3904; https://doi.org/10.3390/molecules27123904 - 17 Jun 2022
Cited by 9 | Viewed by 2569
Abstract
Jojoba oil (JO) extracted from seeds has outstanding properties, including anti-inflammatory, antioxidant, and antibacterial activities, and can be stored forlong periodsof time. The unique properties of jojoba oil depend on its chemical composition; therefore, the effect of the jojoba genotype on the chemical [...] Read more.
Jojoba oil (JO) extracted from seeds has outstanding properties, including anti-inflammatory, antioxidant, and antibacterial activities, and can be stored forlong periodsof time. The unique properties of jojoba oil depend on its chemical composition; therefore, the effect of the jojoba genotype on the chemical properties and active components of the seed oil was evaluated in this study. Oil samples were collected from 15 elite Egyptian jojoba lines. The chemical composition, such as moisture, crude fiber, crude oil, ash, and crude protein of elite lines’ seeds was determined to investigate the variation among them based on the jojoba genotype. In addition, the iodine value was obtained to measure the degree of jojoba oil unsaturation, whereas the peroxide number was determined as an indicator of the damage level in jojoba oil. Fatty acid composition was studied to compare elite jojoba lines. Fatty acid profiles varied significantly depending on the jojoba genotype. Gadoleic acid exhibited the highest percentage value (67.85–75.50%) in the extracted jojoba oil, followed by erucic acid (12.60–14.81%) and oleic acid (7.86–10.99%). The iodine value, peroxide number, and fatty acid composition of the tested elite jojoba lines were compared withthose reported by the International Jojoba Export Council (IJEC). The results showed that the chemical properties of jojoba oils varied significantly, depending on the jojoba genotype. Full article
20 pages, 9323 KiB  
Article
Protective Effect of Djulis (Chenopodium formosanum) Extract against UV- and AGEs-Induced Skin Aging via Alleviating Oxidative Stress and Collagen Degradation
by Jia-Ling Lyu, Yi-Jung Liu, Kuo-Ching Wen, Chen-Yuan Chiu, Yung-Hsiang Lin and Hsiu-Mei Chiang
Molecules 2022, 27(7), 2332; https://doi.org/10.3390/molecules27072332 - 4 Apr 2022
Cited by 11 | Viewed by 4143
Abstract
Skin aging is a complex process involving photoaging and glycation stress, which share some fundamental pathways and have common mediators. They can cause skin damage and collagen degradation by inducing oxidative stress and the accumulation of reactive oxygen species (ROS). Chenopodium formosanum (CF), [...] Read more.
Skin aging is a complex process involving photoaging and glycation stress, which share some fundamental pathways and have common mediators. They can cause skin damage and collagen degradation by inducing oxidative stress and the accumulation of reactive oxygen species (ROS). Chenopodium formosanum (CF), also known as Djulis, is a traditional cereal in Taiwan. This study investigated the protection mechanisms of CF extract against ultraviolet (UV) radiation and advanced glycation end products (AGEs)-induced stress. The results indicated that CF extract had strong antioxidant and free radical scavenging effects. It could reduce UV-induced intracellular ROS generation and initiate the antioxidant defense system by activating the nuclear factor erythroid 2-related factor 2 (Nrf2)/heme oxygenase-1 (HO-1) signaling pathway in human skin fibroblasts. CF extract modulated mitogen-activated protein kinase (MAPK) and transformed growth factor-beta (TGF-β) signaling pathways to alleviate oxidative stress-induced skin aging. Moreover, the results revealed that CF extract not only promoted collagen synthesis but also improved aging-induced collagen degradation. CF extract attenuated AGEs-induced ROS production and the upregulation of receptor for AGEs (RAGE). The overall results suggest that CF extract provides an effective anti-aging strategy by preventing skin damage from oxidative stress and collagen loss with potent antioxidant, anti-photoaging, and antiglycation activities. Full article
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17 pages, 25705 KiB  
Article
Ocimum basilicum L. Methanol Extract Enhances Mitochondrial Efficiency and Decreases Adipokine Levels in Maturing Adipocytes Which Regulate Macrophage Systemic Inflammation
by Pandurangan Subash-Babu, Hussah Mohammed Alowaidh, Laila Naif Al-Harbi, Ghalia Shamlan, Amal A. Aloud, Sahar Abdulaziz AlSedairy and Ali Abdullah Alshatwi
Molecules 2022, 27(4), 1388; https://doi.org/10.3390/molecules27041388 - 18 Feb 2022
Cited by 4 | Viewed by 2966
Abstract
Excessive storage of lipids in visceral or ectopic sites stimulates adipokine production, which attracts macrophages. This process determines the pro- and anti-inflammatory response regulation in adipose tissue during obesity-associated systemic inflammation. The present study aimed to identify the composition of Ocimum basilicum L. [...] Read more.
Excessive storage of lipids in visceral or ectopic sites stimulates adipokine production, which attracts macrophages. This process determines the pro- and anti-inflammatory response regulation in adipose tissue during obesity-associated systemic inflammation. The present study aimed to identify the composition of Ocimum basilicum L. (basil) seed extract and to determine its bio-efficacy on adipocyte thermogenesis or fatty acid oxidation and inhibition of lipid accumulation and adipokine secretion. Ocimum basilicum L. seed methanol extract (BSME) was utilized to analyze the cytotoxicity vs. control; lipid accumulation assay (oil red O and Nile red staining), adipogenesis and mitochondrial-thermogenesis-related gene expression vs. vehicle control were analyzed by PCR assay. In addition, vehicle control and BSME-treated adipocytes condition media were collected and treated with lipopolysaccharide (LPS)-induced macrophage to identify the macrophage polarization. The results shown that the active components present in BSME did not produce significant cytotoxicity in preadipocytes or macrophages in the MTT assay. Furthermore, oil red O and Nile red staining assay confirmed that 80 and 160 μg/dL concentrations of BSME effectively arrested lipid accumulation and inhibited adipocyte maturation, when compared with tea polyphenols. Gene expression level of adipocyte hyperplasia (CEBPα, PPARγ) and lipogenesis (LPL)-related genes have been significantly (p ≤ 0.05) downregulated, and mitochondrial-thermogenesis-associated genes (PPARγc1α, UCP-1, prdm16) have been significantly (p ≤ 0.001) upregulated. The BSME-treated, maturing, adipocyte-secreted proteins were detected with a decreased protein level of leptin, TNF-α, IL-6 and STAT-6, which are associated with insulin resistance and macrophage recruitment. The “LPS-stimulated macrophage” treated with “BSME-treated adipocytes condition media”, shown with significant (p ≤ 0.001) decrease in metabolic-inflammation-related proteins—such as PGE-2, MCP-1, TNF-α and NF-κB—were majorly associated with the development of foam cell formation and progression of atherosclerotic lesion. The present findings concluded that the availability of active principles in basil seed effectively inhibit adipocyte hypertrophy, macrophage polarization, and the inflammation associated with insulin resistance and thrombosis development. Ocimum basilicum L. seed may be useful as a dietary supplement to enhance fatty acid oxidation, which aids in overcoming metabolic complications. Full article
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19 pages, 2791 KiB  
Article
Immunoadjuvant and Humoral Immune Responses of Garlic (Allium sativum L.) Lectins upon Systemic and Mucosal Administration in BALB/c Mice
by Shruthishree D. Padiyappa, Hemavathi Avalappa, Madhusudana Somegowda, Shankarappa Sridhara, Yeldur P. Venkatesh, Bettadatunga T. Prabhakar, Siddanakoppalu N. Pramod, Mona S. Almujaydil, Shadi Shokralla, Ashraf M. M. Abdelbacki, Hosam O. Elansary, Ahmed M. El-Sabrout and Eman A. Mahmoud
Molecules 2022, 27(4), 1375; https://doi.org/10.3390/molecules27041375 - 17 Feb 2022
Cited by 9 | Viewed by 2740
Abstract
Dietary food components have the ability to affect immune function; following absorption, specifically orally ingested dietary food containing lectins can systemically modulate the immune cells and affect the response to self- and co-administered food antigens. The mannose-binding lectins from garlic (Allium sativum [...] Read more.
Dietary food components have the ability to affect immune function; following absorption, specifically orally ingested dietary food containing lectins can systemically modulate the immune cells and affect the response to self- and co-administered food antigens. The mannose-binding lectins from garlic (Allium sativum agglutinins; ASAs) were identified as immunodulatory proteins in vitro. The objective of the present study was to assess the immunogenicity and adjuvanticity of garlic agglutinins and to evaluate whether they have adjuvant properties in vivo for a weak antigen ovalbumin (OVA). Garlic lectins (ASA I and ASA II) were administered by intranasal (50 days duration) and intradermal (14 days duration) routes, and the anti-lectin and anti-OVA immune (IgG) responses in the control and test groups of the BALB/c mice were assessed for humoral immunogenicity. Lectins, co-administered with OVA, were examined for lectin-induced anti-OVA IgG response to assess their adjuvant properties. The splenic and thymic indices were evaluated as a measure of immunomodulatory functions. Intradermal administration of ASA I and ASA II had showed a four-fold and two-fold increase in anti-lectin IgG response, respectively, vs. the control on day 14. In the intranasal route, the increases were 3-fold and 2.4-fold for ASA I and ASA II, respectively, on day 50. No decrease in the body weights of animals was noticed; the increases in the spleen and thymus weights, as well as their indices, were significant in the lectin groups. In the adjuvanticity study by intranasal administration, ASA I co-administered with ovalbumin (OVA) induced a remarkable increase in anti-OVA IgG response (~six-fold; p < 0.001) compared to the control, and ASA II induced a four-fold increase vs. the control on day 50. The results indicated that ASA was a potent immunogen which induced mucosal immunogenicity to the antigens that were administered intranasally in BALB/c mice. The observations made of the in vivo study indicate that ASA I has the potential use as an oral and mucosal adjuvant to deliver candidate weak antigens. Further clinical studies in humans are required to confirm its applicability. Full article
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23 pages, 10077 KiB  
Article
Fruit Bromelain-Derived Peptide Potentially Restrains the Attachment of SARS-CoV-2 Variants to hACE2: A Pharmacoinformatics Approach
by Trina Ekawati Tallei, Fatimawali, Ahmad Akroman Adam, Mona M. Elseehy, Ahmed M. El-Shehawi, Eman A. Mahmoud, Adinda Dwi Tania, Nurdjannah Jane Niode, Diah Kusumawaty, Souvia Rahimah, Yunus Effendi, Rinaldi Idroes, Ismail Celik, Md. Jamal Hossain and Talha Bin Emran
Molecules 2022, 27(1), 260; https://doi.org/10.3390/molecules27010260 - 1 Jan 2022
Cited by 20 | Viewed by 4177
Abstract
Before entering the cell, the SARS-CoV-2 spike glycoprotein receptor-binding domain (RBD) binds to the human angiotensin-converting enzyme 2 (hACE2) receptor. Hence, this RBD is a critical target for the development of antiviral agents. Recent studies have discovered that SARS-CoV-2 variants with mutations in [...] Read more.
Before entering the cell, the SARS-CoV-2 spike glycoprotein receptor-binding domain (RBD) binds to the human angiotensin-converting enzyme 2 (hACE2) receptor. Hence, this RBD is a critical target for the development of antiviral agents. Recent studies have discovered that SARS-CoV-2 variants with mutations in the RBD have spread globally. The purpose of this in silico study was to determine the potential of a fruit bromelain-derived peptide. DYGAVNEVK. to inhibit the entry of various SARS-CoV-2 variants into human cells by targeting the hACE binding site within the RBD. Molecular docking analysis revealed that DYGAVNEVK interacts with several critical RBD binding residues responsible for the adhesion of the RBD to hACE2. Moreover, 100 ns MD simulations revealed stable interactions between DYGAVNEVK and RBD variants derived from the trajectory of root-mean-square deviation (RMSD), radius of gyration (Rg), and root-mean-square fluctuation (RMSF) analysis, as well as free binding energy calculations. Overall, our computational results indicate that DYGAVNEVK warrants further investigation as a candidate for preventing SARS-CoV-2 due to its interaction with the RBD of SARS-CoV-2 variants. Full article
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15 pages, 2289 KiB  
Article
Proximate Composition, Bioactive Compounds, and Antioxidant Potential of Wild Halophytes Grown in Coastal Salt Marsh Habitats
by Yasser A. El-Amier, Walid Soufan, Khalid F. Almutairi, Nouf S. Zaghloul and Ahmed M. Abd-ElGawad
Molecules 2022, 27(1), 28; https://doi.org/10.3390/molecules27010028 - 22 Dec 2021
Cited by 13 | Viewed by 2961
Abstract
Halophytes have been characterized as a potential resource for fiber, food, fodder, and bioactive compounds. Proximate composition, bioactive compounds, and antioxidant activity of five wild dominant halophytes (Arthrocnemummacrostachyum, Halocnemumstrobilaceum, Limoniastrummonopetalum, Limoniastrumpruinosum, and Tamarix nilotica [...] Read more.
Halophytes have been characterized as a potential resource for fiber, food, fodder, and bioactive compounds. Proximate composition, bioactive compounds, and antioxidant activity of five wild dominant halophytes (Arthrocnemummacrostachyum, Halocnemumstrobilaceum, Limoniastrummonopetalum, Limoniastrumpruinosum, and Tamarix nilotica) naturally growing along the Nile Delta coast were assessed. The soil supporting these halophytes was sandy to sand-silty, alkaline, with low organic carbon, and relatively high CaCO3. H. strobilaceum attained the highest moisture content, ash, crude fiber, lipids, and total soluble sugars. L. monopetalum showed the highest content of crude protein (18.00%), while T. nilotica had the highest content of total carbohydrates. The studied halophytes can be ranked according to their nutritive value as follows: H.strobilaceum > L.monopetalum > A.macrostachyum > L.pruinosum > T. nilotica. A. macrostachyum attained the highest amount of Na+, K+, Ca2+, and Mg2+. A. macrostachyum showed a high content of phenolic compounds, while H.strobilaceum was rich in tannins and saponin contents. The MeOH extract of A. macrostachyum and H. strobilaceum exhibited substantial antioxidant activity. The present results showed that the studied halophytes could be considered as candidates for forage production or used as green eco-friendly natural resources for bioactive compounds. Full article
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