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Natural Products for Chronic Diseases: A Ray of Hope

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

Deadline for manuscript submissions: closed (31 August 2022) | Viewed by 39022

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Special Issue Editors

Dr. Syed Shams ul Hassan

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Guest Editor

1. Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs, School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, China
2. Department of Natural products, School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, China
Interests: natural products; cancer; inflammation; biological activities; molecular docking; ADMET
Special Issues, Collections and Topics in MDPI journals

Prof. Dr. Mohamed M. Abdel-Daim

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Guest Editor

1. Department of Pharmaceutical Sciences, Pharmacy Program, Batterjee Medical College, P.O. Box 6231, Jeddah 21442, Saudi Arabia
2. Pharmacology Department, Faculty of Veterinary Medicine, Suez Canal University, Ismailia, Egypt
Interests: pharmacology; drug toxicology; alternative medicine; environmental pharmacology and toxicology
Special Issues, Collections and Topics in MDPI journals

Dr. Tapan Behl

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Guest Editor

Department of Pharmacology, Chitkara College of Pharmacy, Chitkara University, Punjab, India
Interests: molecular pharmacology; herbal drugs; unconventional therapies
Special Issues, Collections and Topics in MDPI journals

Prof. Dr. Simona Gabriela Bungau

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Guest Editor

Department of Pharmacy, Faculty of Medicine and Pharmacy, University of Oradea, 410087 Oradea, Romania
Interests: pharmacy; pharmacology; public health; medicine; chemistry; clinical trials; nutrition; polyphenols; oxidative stress; antioxidants
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues

Developed over centuries to encode biological processes, nature's products are the dawn and predecessors of medicine. Out of the desire to cure diseases, conventional remedies gave a substantial territory to modern chemical techniques much more competent and capable in the development of new drugs. The designated chemotypes of natural components (β-lactam antibiotics obtained from Penicillium sp. and quinoline/iso-quinoline alkaloids obtained from tree bark are prototypical examples of therapeutically appreciated active substances) have proven their ability to act on the broad spectrum of pathogens that continue to significant affect health of the human population, the latter being a huge economic burden worldwide. Products of natural origin, considered to be the core of pharmaceutical armaments, are ready for access compared to synthetic products; moreover, low concern in maintaining an archetype of discovery including fermentation, isolation, structural determination, and biological testing of new pharmacologically active natural compounds must be taken into account. Most studies in the field have been performed to determine the pharmacokinetics and pharmacognostic potential of natural products, and fortunately, researchers have successfully isolated many new compounds. Such substances have been shown to have antibacterial, antiviral, antifungal, antimalarial, antitumor, anti-inflammatory, antioxidant, immunosuppressive, and/or cardiovascular activity, etc. However, the mode of action of many compounds, through which they interfere with human pathogenesis, has not been clarified so far, and this knowledge is essential in knowing and establishing the possibility of transforming chemical molecules into drugs.

The topic of this Special Issue is intended to cover scientific and experimental data, as well as information on drugs, in directions related to the following:

Capacity of medicinal substances, which have been examined in vitro and in vivo, against pathogenic microbes;
Mode of action of these medicinal compounds and the basic mechanisms by which natural products function or act;
Natural products derived with efficient bioactivities;
Biomolecules derived from natural products used in experimental or clinical studies;
The new role of natural products in drug targeting.

Original research articles and reviews are equally welcome.

Dr. Syed Shams ul Hassan
Prof. Dr. Simona Bungau
Dr. Mohamed M. Abdel-Daim
Dr. Tapan Behl
Guest Editors

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Keywords

natural compounds
pharmaceuticals
mode of action
mechanisms
medicines
chronic diseases
unconventional therapies

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Published Papers (12 papers)

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Editorial

Jump to: Research, Review

3 pages, 181 KiB

Open AccessEditorial

Natural Products for Chronic Diseases: A Ray of Hope

by Syed Shams ul Hassan, Mohamed M. Abdel-Daim, Tapan Behl and Simona Bungau

Molecules 2022, 27(17), 5573; https://doi.org/10.3390/molecules27175573 - 30 Aug 2022

Cited by 17 | Viewed by 1916

Abstract

This Special Issue includes many high advanced quality papers that focus on natural products with their potent pharmacological potential targeting various areas of diseases [...] Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

Research

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20 pages, 4599 KiB

Open AccessArticle

Neuroprotective Effect of Natural Compounds in Paclitaxel-Induced Chronic Inflammatory Pain

by Muhammad Faheem, Arif-ullah Khan, Muhammad Waqas Saleem, Fawad Ali Shah, Fawad Ali, Abdul Waheed Khan and Shupeng Li

Molecules 2022, 27(15), 4926; https://doi.org/10.3390/molecules27154926 - 2 Aug 2022

Cited by 7 | Viewed by 2882

Abstract

The current study explored the effects of natural compounds, berbamine, bergapten, and carveol on paclitaxel-associated neuroinflammatory pain. Berbamine, an alkaloid obtained from BerberisamurensisRuprhas been previously researched for anticancer and anti-inflammatory potential. Bergapten is 5-methoxsalenpsoralen previously investigated in cancer, vitiligo, and psoriasis. Carveol obtained from caraway is a component of essential oil. The neuropathic pain model was induced by administering 2 mg/kg of paclitaxel (PTX) every other day for a week. After the final PTX injection, a behavioral analysis was conducted, and subsequently, tissue was collected for molecular analysis. Berbamine, bergapten, and carveol treatment attenuated thermal hypersensitivity, improved latency of falling, normalized the changes in body weight, and increased the threshold for pain sensation. The drugs increased the protective glutathione (GSH) and glutathione S-transferase (GST) levels in the sciatic nerve and spinal cord while lowering inducible nitric oxide synthase (iNOS) and lipid peroxidase (LPO). Hematoxylin and eosin (H and E) and immunohistochemistry (IHC) examinations confirmed that the medication reversed the abnormal alterations. The aforementioned natural substances inhibited cyclooxygenase-2 (COX-2), tumor necrosis factor-alpha (TNF-α), and nuclear factor kappa B (NF-κb) overexpression, as evidenced by enzyme-linked immunosorbant assay (ELISA) and Western blot and hence provide neuroprotection in chronic constriction damage. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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24 pages, 2775 KiB

Open AccessArticle

Comprehensive Phytochemical Profiling, Biological Activities, and Molecular Docking Studies of Pleurospermum candollei: An Insight into Potential for Natural Products Development

by Maqsood Ahmed, Kashif-ur-Rehman Khan, Saeed Ahmad, Hanan Y. Aati, Chitchamai Ovatlarnporn, Muhammad Sajid-ur Rehman, Tariq Javed, Anjum Khursheed, Bilal Ahmad Ghalloo, Rizwana Dilshad and Maryam Anwar

Molecules 2022, 27(13), 4113; https://doi.org/10.3390/molecules27134113 - 26 Jun 2022

Cited by 26 | Viewed by 4702

Abstract

The purpose of this study was to find the biological propensities of the vegetable plant Pleurospermum candollei by investigating its phytochemical profile and biological activities. Phytochemical analysis was done by spectroscopic methods to investigate the amount of total polyphenols, and biological evaluation was done by the different antioxidant, enzyme inhibitory (tyrosinase, α-amylase, and α-glucosidase), thrombolytic, and antibacterial activities. The highest amount of total phenolic and flavonoid contents was observed in methanolic extract (240.69 ± 2.94 mg GAE/g and 167.59 ± 3.47 mg QE/g); the fractions showed comparatively less quantity (57.02 ± 1.31 to 144.02 ± 2.11 mg GAE/g, and 48.21 ± 0.75 to 96.58 ± 2.30 mg QE/g). The effect of these bioactive contents was also related to biological activities. GCMS analysis led to the identification of bioactive compounds with different biological effects from methanolic extract (antioxidant; 55.07%, antimicrobial; 56.41%), while the identified compounds from the n-hexane fraction with antioxidant properties constituted 67.86%, and those with antimicrobial effects constituted 82.95%; however, the synergetic effect of polyphenols may also have contributed to the highest value of biological activities of methanolic extract. Molecular docking was also performed to understand the relationship of identified secondary metabolites with enzyme-inhibitory activities. The thrombolytic activity was also significant (40.18 ± 1.80 to 57.15 ± 1.10 % clot lysis) in comparison with streptokinase (78.5 ± 1.53 to 82.34 ± 1.25% clot lysis). Methanolic extract also showed good activity against Gram-positive strains of bacteria, and the highest activity was observed against Bacillus subtilis. The findings of this study will improve our knowledge of phytochemistry, and biological activities of P. candollei, which seems to be a ray of hope to design formulations of natural products for the improvement of health and prevention of chronic diseases; however, further research may address the development of novel drugs for use in pharmaceuticals. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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20 pages, 2185 KiB

Open AccessArticle

Anti-Inflammatory, Analgesic and Antioxidant Potential of New (2S,3S)-2-(4-isopropylbenzyl)-2-methyl-4-nitro-3-phenylbutanals and Their Corresponding Carboxylic Acids through In Vitro, In Silico and In Vivo Studies

by Fawad Mahmood, Jamshaid Ali Khan, Mater H. Mahnashi, Muhammad Saeed Jan, Muhammad Aamir Javed, Umer Rashid, Abdul Sadiq, Syed Shams ul Hassan and Simona Bungau

Molecules 2022, 27(13), 4068; https://doi.org/10.3390/molecules27134068 - 24 Jun 2022

Cited by 28 | Viewed by 2350

Abstract

In the current study, a series of new (2S,3S)-2-(4-isopropylbenzyl)-2-methyl-4-nitro-3-phenylbutanals (FM1-6) with their corresponding carboxylic acid analogues (FM7-12) has been synthesized. Initially, the aldehydic derivatives were isolated in the diastereomeric form, and the structures were confirmed with NMR, MS and elemental analysis. Based on the encouraging results in in vitro COX 1/2, 5-LOX and antioxidant assays, we oxidized the compounds and obtained the pure single (major) diastereomer for activities. Among all the compounds, FM4, FM10 and FM12 were the leading compounds based on their potent IC₅₀ values. The IC₅₀ values of compounds FM4, FM10 and FM12 were 0.74, 0.69 and 0.18 µM, respectively, in COX-2 assay. Similarly, the IC₅₀ values of these three compounds were also dominant in COX-1 assay. In 5-LOX assay, the majority of our compounds were potent inhibitors of the enzyme. Based on the potency and safety profiles, FM10 and FM12 were subjected to the in vivo experiments. The compounds FM10 and FM12 were observed with encouraging results in in vivo analgesic and anti-inflammatory models. The molecular docking studies of the selected compounds show binding interactions in the minimized pocked of the target proteins. It is obvious from the overall results that FM10 and FM12 are potent analgesic and anti-inflammatory agents. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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19 pages, 7312 KiB

Open AccessArticle

Pharmacological Inhibition of Endogenous Hydrogen Sulfide Attenuates Breast Cancer Progression

by Nazeer Hussain Khan, Di Wang, Wenkang Wang, Muhammad Shahid, Saadullah Khattak, Ebenezeri Erasto Ngowi, Muhammad Sarfraz, Xin-Ying Ji, Chun-Yang Zhang and Dong-Dong Wu

Molecules 2022, 27(13), 4049; https://doi.org/10.3390/molecules27134049 - 23 Jun 2022

Cited by 14 | Viewed by 2912

Abstract

Hydrogen sulfide (H₂S), a gaseous signaling molecule, is associated with the development of various malignancies via modulating various cellular signaling cascades. Published research has established the fact that inhibition of endogenous H₂S production or exposure of H₂S donors is an effective approach against cancer progression. However, the effect of pharmacological inhibition of endogenous H₂S-producing enzymes (cystathionine-γ-lyase (CSE), cystathionine-β-synthase (CBS), and 3-mercaptopyruvate sulfurtransferase (3-MPST)) on the growth of breast cancer (BC) remains unknown. In the present study, DL-propargylglycine (PAG, inhibitor of CSE), aminooxyacetic acid (AOAA, inhibitor of CBS), and L-aspartic acid (L-Asp, inhibitor of 3-MPST) were used to determine the role of endogenous H₂S in the growth of BC by in vitro and in vivo experiments. An in silico study was also performed to confirm the results. Corresponding to each enzyme in separate groups, we treated BC cells (MCF-7 and MDA-MB-231) with 10 mM of PAG, AOAA, and L-Asp for 24 h. Findings reveal that the combined dose (PAG + AOAA + L-Asp) group showed exclusive inhibitory effects on BC cells’ viability, proliferation, migration, and invasion compared to the control group. Further, treated cells exhibited increased apoptosis and a reduced level of phospho (p)-extracellular signal-regulated protein kinases such as p-AKT, p-PI3K, and p-mTOR. Moreover, the combined group exhibited potent inhibitory effects on the growth of BC xenograft tumors in nude mice, without obvious toxicity. The molecular docking results were consistent with the wet lab experiments and enhanced the reliability of the drugs. In conclusion, our results demonstrate that the inhibition of endogenous H₂S production can significantly inhibit the growth of human breast cancer cells via the AKT/PI3K/mTOR pathway and suggest that endogenous H₂S may act as a promising therapeutic target in human BC cells. Our study also empowers the rationale to design novel H₂S-based anti-tumor drugs to cure BC. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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20 pages, 16713 KiB

Open AccessArticle

Anabasis articulata (Forssk.) Moq: A Good Source of Phytochemicals with Antibacterial, Antioxidant, and Antidiabetic Potential

by Fakhria A. Al-Joufi, Marwa Jan, Muhammad Zahoor, Nausheen Nazir, Sumaira Naz, Muhammad Talha, Abdul Sadiq, Asif Nawaz and Farhat Ali Khan

Molecules 2022, 27(11), 3526; https://doi.org/10.3390/molecules27113526 - 30 May 2022

Cited by 17 | Viewed by 2901

Abstract

Anabasis articulata is medicinally used to treat various diseases. In this study, A. articulata was initially subjected to extraction, and the resultant extracts were then evaluated for their antimicrobial, antioxidant, and antidiabetic potentials. After obtaining the methanolic extract, it was subjected to a silica gel column for separation, and fractions were collected at equal intervals. Out of the obtained fractions (most rich in bioactive compounds confirmed through HPLC), designated as A, B, C, and D as well hexane fraction, were subjected to GC-MS analysis, and a number of valuable bioactive compounds were identified from the chromatograms. The preliminary phytochemical tests were positive for the extracts where fraction A exhibited the highest total phenolic and flavonoid contents. The hexane fraction as antimicrobial agent was the most potent, followed by the crude extract, fraction A, and fraction D. DPPH and ABTS assays were used to estimate the free radical scavenging potential of the extracts. Fraction C was found to contain potent inhibitors of both the tested radicals, followed by fraction D. The potential antidiabetic extracts were determined using α-glucosidase and amylase as probe enzymes. The former was inhibited by crude extract, hexane, and A, B, C and D fractions to the extent of 85.32 ± 0.20, 61.14 ± 0.49, 62.15 ± 0.84, 78.51 ± 0.45, 72.57 ± 0.92 and 70.61 ± 0.91%, respectively, at the highest tested concentration of 1000 µg/mL with their IC₅₀ values 32, 180, 200, 60, 120 and 140 µg/mL correspondingly, whereas α-amylase was inhibited to the extent of 83.98 ± 0.21, 58.14 ± 0.75, 59.34 ± 0.89, 81.32 ± 0.09, 74.52 ± 0.13 and 72.51 ± 0.02% (IC₅₀ values; 34, 220, 240, 58, 180, and 200 µg/mL, respectively). The observed biological potentials might be due to high phenolic and flavonoid content as detected in the extracts. The A. articulata might thus be considered an efficient therapeutic candidate and could further be investigated for other biological potentials along with the isolation of pure responsible ingredients. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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13 pages, 487 KiB

Open AccessArticle

α-Glucosidase, α-Amylase and Antioxidant Evaluations of Isolated Bioactives from Wild Strawberry

by Mohammed A. Huneif, Seham M. Alqahtani, Alqahtani Abdulwahab, Sultan A. Almedhesh, Mater H. Mahnashi, Muhammad Riaz, Najm Ur-Rahman, Muhammad Saeed Jan, Farhat Ullah, Muhammad Aasim and Abdul Sadiq

Molecules 2022, 27(11), 3444; https://doi.org/10.3390/molecules27113444 - 26 May 2022

Cited by 15 | Viewed by 2415

Abstract

Diabetes mellitus is a metabolic disorder and is a global challenge to the current medicinal chemists and pharmacologists. This research has been designed to isolate and evaluate antidiabetic bioactives from Fragaria indica. The crude extracts, semi-purified and pure bioactives have been used in all in vitro assays. The in vitro α-glucosidase, α-amylase and DPPH free radical activities have been performed on all plant samples. The initial activities showed that ethyl acetate (Fi.EtAc) was the potent fraction in all the assays. This fraction was initially semi-purified to obtain Fi.EtAc 1–3. Among the semi-purified fractions, Fi.EtAc 2 was dominant, exhibiting potent IC₅₀ values in all the in vitro assays. Based on the potency and availability of materials, Fi.EtAc 2 was subjected to further purification to obtain compounds 1 (2,4-dichloro-6-hydroxy-3,5-dimethoxytoluene) and 2 (2-methyl-6-(4-methylphenyl)-2-hepten-4-one). The two isolated compounds were characterized by mass and NMR analyses. The compounds 1 and 2 showed excellent inhibitions against α-glucosidase (21.45 for 1 and 15.03 for 2 μg/mL), α-amylase (17.65 and 16.56 μg/mL) and DPPH free radicals (7.62 and 14.30 μg/mL). Our study provides baseline research for the antidiabetic bioactives exploration from Fragaria indica. The bioactive compounds can be evaluated in animals-based antidiabetic activity in future. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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12 pages, 2709 KiB

Open AccessArticle

Isolation of Echimidine and Its C-7 Isomers from Echium plantagineum L. and Their Hepatotoxic Effect on Rat Hepatocytes

by Michał Gleńsk, Marta K. Dudek, Peter Kinkade, Evelyn C. S. Santos, Vitold B. Glinski, Daneel Ferreira, Ewa Seweryn, Sławomir Kaźmierski, Joao B. Calixto and Jan A. Glinski

Molecules 2022, 27(9), 2869; https://doi.org/10.3390/molecules27092869 - 30 Apr 2022

Cited by 2 | Viewed by 2126

Abstract

Echimidine is the main pyrrolizidine alkaloid of Echium plantagineum L., a plant domesticated in many countries. Because of echimidine’s toxicity, this alkaloid has become a target of the European Food Safety Authority regulations, especially in regard to honey contamination. In this study, we determined by NMR spectroscopy that the main HPLC peak purified from zinc reduced plant extract with an MS [M + H]⁺ signal at m/z 398 corresponding to echimidine (1), and in fact also represents an isomeric echihumiline (2). A third isomer present in the smallest amount and barely resolved by HPLC from co-eluting (1) and (2) was identified as hydroxymyoscorpine (3). Before the zinc reduction, alkaloids (1) and (2) were present mostly (90%) in the form of an N-oxide, which formed a single peak in HPLC. This is the first report of finding echihumiline and hydroxymyoscorpine in E. plantagineum. Retroanalysis of our samples of E. plantagineum collected in New Zealand, Argentina and the USA confirmed similar co-occurrence of the three isomeric alkaloids. In rat hepatocyte primary culture cells, the alkaloids at 3 to 300 µg/mL caused concentration-dependent inhibition of hepatocyte viability with mean IC₅₀ values ranging from 9.26 to 14.14 µg/mL. Our discovery revealed that under standard HPLC acidic conditions, echimidine co-elutes with its isomers, echihumiline and to a lesser degree with hydroxymyoscorpine, obscuring real alkaloidal composition, which may have implications for human toxicity. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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19 pages, 5507 KiB

Open AccessArticle

An Extensive Pharmacological Evaluation of New Anti-Cancer Triterpenoid (Nummularic Acid) from Ipomoea batatas through In Vitro, In Silico, and In Vivo Studies

by Muhammad Majid, Anam Farhan, Muhammad Imran Asad, Muhammad Rashid Khan, Syed Shams ul Hassan, Ihsan-ul Haq and Simona Bungau

Molecules 2022, 27(8), 2474; https://doi.org/10.3390/molecules27082474 - 12 Apr 2022

Cited by 32 | Viewed by 3177

Abstract

Prostate cancer (PCa) is the most common cancer in men, accounting for approximately 10% of all new cases in the United States. Plant-derived bioactive compounds, such as pentacyclic triterpenoids (PTs), have the ability to inhibit PCa cell proliferation. We isolated and characterized nummularic acid (NA), a potent PT, as a major chemical constituent of Ipomoea batatas, a medicinal food plant used in ethnomedicine for centuries. In the current study, in vitro antiproliferative potential against PCa cells (DU145 and PC3) via 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay; Western blot protein expression analysis; absorption, distribution, metabolism, excretion (ADME); pharmacokinetic prediction studies; and bisphenol A (BPA)-induced prostate inhibition in Sprague Dawley rats were conducted to gauge the anti-cancer ability of NA. Significant (p < 0.05 and p < 0.01) time- and dose-dependent reductions in proliferation of PCa cells, reduced migration, invasion, and increased apoptotic cell population were recorded after NA treatment (3–50 µM). After 72 h of treatment, NA displayed significant IC₅₀ of 21.18 ± 3.43 µM against DU145 and 24.21 ± 3.38 µM against PC3 cells in comparison to the controls cabazitaxel (9.56 ± 1.45 µM and 12.78 ± 2.67 µM) and doxorubicin (10.98 ± 2.71 µM and 15.97 ± 2.77 µM). Further deep mechanistic studies reveal that NA treatment considerably increased the cleavage of caspases and downstream PARP, upregulated BAX and P53, and downregulated BCL-2 and NF-κB, inducing apoptosis in PCa cells. Pharmacokinetic and ADME characterization indicate that NA has a favorable physicochemical nature, with high gastrointestinal absorption, low blood–brain barrier permeability, no hepatotoxicity, and cytochrome inhibition. BPA-induced perturbations of prostate glands in Sprague Dawley rats show a potential increase (0.478 ± 0.28 g) in prostate weight compared to the control (0.385 ± 0.13 g). Multi-dose treatment with NA (10 mg/kg) significantly reduced the prostate size (0.409 ± 0.21 g) in comparison to the control. NA-treated groups exhibited substantial restoration of hematological and histological parameters, reinstatement of serum hormones, and suppression of inflammatory markers. This multifaceted analysis suggests that NA, as a novel small molecule with a strong pharmacokinetic and pharmacological profile, has the potential to induce apoptosis and death in PCa cells. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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19 pages, 7218 KiB

Open AccessArticle

Effects of Shrimp Peptide Hydrolysate on Intestinal Microbiota Restoration and Immune Modulation in Cyclophosphamide-Treated Mice

by Asif Iqbal Khan, Ata Ur Rehman, Nabeel Ahmed Farooqui, Nimra Zafar Siddiqui, Qamar Ayub, Muhammad Noman Ramzan, Liang Wang and Yi Xin

Molecules 2022, 27(5), 1720; https://doi.org/10.3390/molecules27051720 - 6 Mar 2022

Cited by 21 | Viewed by 3962

Abstract

The gut microbiota is important in regulating host metabolism, maintaining physiology, and protecting immune homeostasis. Gut microbiota dysbiosis affects the development of the gut microenvironment, as well as the onset of various external systemic diseases and metabolic syndromes. Cyclophosphamide (CTX) is a commonly used chemotherapeutic drug that suppresses the host immune system, intestinal mucosa inflammation, and dysbiosis of the intestinal flora. Immunomodulators are necessary to enhance the immune system and prevent homeostasis disbalance and cytotoxicity caused by CTX. In this study, shrimp peptide hydrolysate (SPH) was evaluated for immunomodulation, intestinal integration, and microbiota in CTX-induced immunosuppressed mice. It was observed that SPH would significantly restore goblet cells and intestinal mucosa integrity, modulate the immune system, and increase relative expression of mRNA and tight-junction associated proteins (Occludin, Zo-1, Claudin-1, and Mucin-2). It also improved gut flora and restored the intestinal microbiota ecological balance by removing harmful microbes of various taxonomic groups. This would also increase the immune organs index, serum levels of cytokines (IFN-ϒ, IL1β, TNF-α, IL-6), and immunoglobin levels (IgA, IgM). The Firmicutes/Bacteroidetes proportion was decreased in CTX-induced mice. Finally, SPH would be recommended as a functional food source with a modulatory effect not only on intestinal microbiota, but also as a potential health-promoting immune function regulator. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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21 pages, 3985 KiB

Open AccessArticle

A Comprehensive In Silico Exploration of Pharmacological Properties, Bioactivities, Molecular Docking, and Anticancer Potential of Vieloplain F from Xylopia vielana Targeting B-Raf Kinase

by Syed Shams ul Hassan, Syed Qamar Abbas, Fawad Ali, Muhammad Ishaq, Iqra Bano, Mubashir Hassan, Hui-Zi Jin and Simona G. Bungau

Molecules 2022, 27(3), 917; https://doi.org/10.3390/molecules27030917 - 28 Jan 2022

Cited by 48 | Viewed by 3921

Abstract

Compounds derived from plants have several anticancer properties. In the current study, one guaiane-type sesquiterpene dimer, vieloplain F, isolated from Xylopia vielana species, was tested against B-Raf kinase protein (PDB: 3OG7), a potent target for melanoma. A comprehensive in silico analysis was conducted in this research to understand the pharmacological properties of a compound encompassing absorption, distribution, metabolism, excretion, and toxicity (ADMET), bioactivity score predictions, and molecular docking. During ADMET estimations, the FDA-approved medicine vemurafenib was hepatotoxic, cytochrome-inhibiting, and non-cardiotoxic compared to the vieloplain F. The bioactivity scores of vieloplain F were active for nuclear receptor ligand and enzyme inhibitor. During molecular docking experiments, the compound vieloplain F has displayed a higher binding potential with −11.8 kcal/mol energy than control vemurafenib −10.2 kcal/mol. It was shown that intermolecular interaction with the B-Raf complex and the enzyme’s active gorge through hydrogen bonding and hydrophobic contacts was very accurate for the compound vieloplain F, which was then examined for MD simulations. In addition, simulations using MM-GBSA showed that vieloplain F had the greatest propensity to bind to active site residues. The vieloplain F has predominantly represented a more robust profile compared to control vemurafenib, and these results opened the road for vieloplain F for its utilization as a plausible anti-melanoma agent and anticancer drug in the next era. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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Review

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23 pages, 7403 KiB

Open AccessReview

Biotechnological Innovations from Ocean: Transpiring Role of Marine Drugs in Management of Chronic Disorders

by Saurabh Bhatia, Rashita Makkar, Tapan Behl, Aayush Sehgal, Sukhbir Singh, Mahesh Rachamalla, Vasudevan Mani, Muhammad Shahid Iqbal and Simona Gabriela Bungau

Molecules 2022, 27(5), 1539; https://doi.org/10.3390/molecules27051539 - 24 Feb 2022

Cited by 6 | Viewed by 3692

Abstract

Marine drugs are abundant in number, comprise of a diverse range of structures with corresponding mechanisms of action, and hold promise for the discovery of new and better treatment approaches for the management of several chronic diseases. There are huge reserves of natural marine biological compounds, as 70 percent of the Earth is covered with oceans, indicating a diversity of chemical entities on the planet. The marine ecosystems are a rich source of bioactive products and have been explored for lead drug molecules that have proven to be novel therapeutic targets. Over the last 70 years, many structurally diverse drug products and their secondary metabolites have been isolated from marine sources. The drugs obtained from marine sources have displayed an exceptional potential in the management of a wide array of diseases, ranging from acute to chronic conditions. A beneficial role of marine drugs in human health has been recently proposed. The current review highlights various marine drugs and their compounds and role in the management of chronic diseases such as cancer, diabetes, neurodegenerative diseases, and cardiovascular disorders, which has led to the development of new drug treatment approaches. Full article

(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)

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