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Bioactive Compounds: From Nature to Pharmaceutical 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 (31 December 2022) | Viewed by 23622

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Special Issue Editors

Prof. Dr. Haroon Khan

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Guest Editor

Department of Pharmacy, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan
Interests: pharmacology; drug discovery; phytomedicine
Special Issues, Collections and Topics in MDPI journals

Prof. Dr. Mohammad Amjad Kamal

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Guest Editor

1. Institutes for Systems Genetics, Frontiers Science Center for Disease-Related Molecular Network, West China Hospital, Sichuan University, Chengdu, China
2. King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia
3. Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Dhaka 1207, Bangladesh
4. Enzymoics, 7 Peterlee Place, Hebersham, NSW 2770, Australia
5. Novel Global Community Educational Foundation, Hebersham, Australia
Interests: biochemistry; neuroscience; enzymology; toxicology; metabolomics; nanomedicines; manual lymph drainage and miRNA; leadership in managing staff performance and chaplaincy
Special Issues, Collections and Topics in MDPI journals

Dr. Syed Shams ul Hassan

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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

Special Issue Information

Dear Colleagues,

Most treatment groups are facing challenges related to safe and effective drugs. Recent reports on drug resistance and drug sensitivity have further worsened the situation. To address these challenges, the discovery of new effective agents is indispensable. In this connection, natural therapeutic chemical compounds could be the best option. Nature offers an incredibly diverse treasure trove of chemical compounds/secondary metabolites with therapeutic potential. Chemical templates in the form of secondary metabolites such as flavonoids, alkaloids, glycosides, saponins, terpenoids, steroids, essential oils, fixed oils, etc. have shown outstanding pharmacological effects in various in vitro and in vivo paradigms. Several of these are already being investigated for detailed mechanistic studies apart from their safety profile. However, those chemical entities that have not been explored yet for their pharmacological effects need to be studied urgently. On the other hand, those compounds whose prominent effects have been elicited and their safe dosage levels confirmed must be tested for clinical effects in controlled clinical trials.

This Special Issue will describe the latest developments in nature-derived therapeutic agents in terms of pharmacological effects and overall natural drug discovery events. Submissions may be research articles based on in vitro/in vivo effects, preclinical/clinical trials, or comprehensive reviews.

Prof. Dr. Haroon Khan
Prof. Dr. Mohammad Amjad Kamal
Dr. Syed Shams ul Hassan
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. Molecules is an international peer-reviewed open access semimonthly 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

secondary metabolites
drug resistance
therapeutic challenges
therapeutic/pharmacological effects
drug discovery

Published Papers (9 papers)

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Research

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11 pages, 636 KiB

Open AccessArticle

Quantification of Enhydrin and Uvedalin in the Ethanolic Extract of Smallanthus sonchifolius Leaves Validated by the HPLC Method

by Hady Anshory Tamhid, Triana Hertiani, Yosi Bayu Murti and Retno Murwanti

Molecules 2023, 28(4), 1913; https://doi.org/10.3390/molecules28041913 - 17 Feb 2023

Viewed by 1496

Abstract

Yacon leaf (Smallanthus sonchifolius, Asteraceae) ethanolic extracts are widely used in herbal medicine preparation for diabetes. They contain two sesquiterpene lactones (enhydrin (1) and uvedalin (2)) as major bioactive compounds. To provide a suitable method of analysis for the extract’s quality control, we developed and validated a simultaneous HPLC-UV method using the compounds as markers. Compounds 1 and 2 were isolated using a freeze crystallization technique followed by a preparative HPLC. Spectrometry data for 1 and 2 were determined and compared to the literature. Chromatographic separation was carried out for 30 min with a mobile phase that used 60% water and 40% acetonitrile and a C18 column (250 × 4.6 mm, 5 µm) as the stationary phase. The flow was set to 1 mL min⁻¹ and detection was conducted at 210 nm. The validation method was conducted according to the ICH guidelines, which included linearity, precision, accuracy, LOD, and LOQ. The calibration curve of both compounds was linear (R ² > 0.9999), with the limit of detection and quantification as follows, respectively, 0.52 and 1.57 µg/mL for 1, and 0.144 and 0.436 µg/mL for 2. The percentages of recovery and repeatability (%RSD) were, 101.46 and 0.30% for 1, and 97.68 and 0.08% for 2, respectively. The 1 and 2 were 1.67 and 0.88% in the Ykal extract, and 1.26 and 0.56% in the Ycin extract, respectively. The method was found to be linear, precise, accurate, and suitable to be applied for control quality analyses of yacon leaf extract. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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14 pages, 9395 KiB

Open AccessArticle

Antiviral Activities of Ethyl Pheophorbides a and b Isolated from Aster pseudoglehnii against Influenza Viruses

by Subin Park, Ji-Young Kim, Hak Cheol Kwon, Dae Sik Jang and Yoon-Jae Song

Molecules 2023, 28(1), 41; https://doi.org/10.3390/molecules28010041 - 21 Dec 2022

Cited by 1 | Viewed by 1183

Abstract

Screening of the antiviral and virucidal activities of ethanol extracts from plants endemic to the Republic of Korea revealed the inhibitory activity of a 70% ethanol extract of the whole plant of A. pseudoglehnii (APE) against influenza virus infection. Two chlorophyll derivatives, ethyl pheophorbides a and b, isolated as active components of APE, exerted virucidal effects with no evident cytotoxicity. These compounds were effective only under conditions of direct incubation with the virus, and exerted no effects on the influenza A virus (IAV) surface glycoproteins hemagglutinin (HA) and neuraminidase (NA). Interestingly, virucidal activities of ethyl pheophorbides a and b were observed against enveloped but not non-enveloped viruses, suggesting that these compounds act by affecting the integrity of the viral membrane and reducing infectivity. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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16 pages, 3288 KiB

Open AccessArticle

Integrated System Pharmacology Approaches to Elucidate Multi-Target Mechanism of Solanum surattense against Hepatocellular Carcinoma

by Hafiz Rameez Khalid, Muhammad Aamir, Sana Tabassum, Youssef Saeed Alghamdi, Ahmad Alzamami and Usman Ali Ashfaq

Molecules 2022, 27(19), 6220; https://doi.org/10.3390/molecules27196220 - 21 Sep 2022

Cited by 5 | Viewed by 2213

Abstract

Hepatocellular carcinoma (HCC) is one of the most common malignant liver tumors with high mortality. Chronic hepatitis B and C viruses, aflatoxins, and alcohol are among the most common causes of hepatocellular carcinoma. The limited reported data and multiple spectra of pathophysiological mechanisms of HCC make it a challenging task and a serious economic burden in health care management. Solanum surattense (S. surattense) is the herbal plant used in many regions of Asia to treat many disorders including various types of cancer. Previous in vitro studies revealed the medicinal importance of S. surattense against hepatocellular carcinoma. However, the exact molecular mechanism of S. surattense against HCC still remains unclear. In vitro and in silico experiments were performed to find the molecular mechanism of S. surattense against HCC. In this study, the network pharmacology approach was used, through which multi-targeted mechanisms of S. surattense were explored against HCC. Active ingredients and potential targets of S. surattense found in HCC were figured out. Furthermore, the molecular docking technique was employed for the validation of the successful activity of bioactive constituents against potential genes of HCC. The present study investigated the active “constituent–target–pathway” networks and determined the tumor necrosis factor (TNF), epidermal growth factor receptor (EGFR), mammalian target of rapamycin (mTOR), Bcl-2-like protein 1(BCL2L1), estrogen receptor (ER), GTPase HRas, hypoxia-inducible factor 1-alpha (HIF1-α), Harvey Rat sarcoma virus, also known as transforming protein p21 (HRAS), and AKT Serine/Threonine Kinase 1 (AKT1), and found that the genes were influenced by active ingredients of S. surattense. In vitro analysis was also performed to check the anti-cancerous activity of S. surattense on human liver cells. The result showed that S. surattense appeared to act on HCC via modulating different molecular functions, many biological processes, and potential targets implicated in 11 different pathways. Furthermore, molecular docking was employed to validate the successful activity of the active compounds against potential targets. The results showed that quercetin was successfully docked to inhibit the potential targets of HCC. This study indicates that active constituents of S. surattense and their therapeutic targets are responsible for their pharmacological activities and possible molecular mechanisms for treating HCC. Lastly, it is concluded that active compounds of S. surattense act on potential genes along with their influencing pathways to give a network analysis in system pharmacology, which has a vital role in the development and utilization of drugs. The current study lays a framework for further experimental research and widens the clinical usage of S. surattense. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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22 pages, 4086 KiB

Open AccessArticle

Chemical Profiling, Formulation Development, In Vitro Evaluation and Molecular Docking of Piper nigrum Seeds Extract Loaded Emulgel for Anti-Aging

by Muhammad Yousuf, Haji Muhammad Shoaib Khan, Fatima Rasool, Kashif ur Rehman Khan, Faisal Usman, Bilal Ahmad Ghalloo, Muhammad Umair, Ahmad O. Babalghith, Muhammad Kamran, Rana Muhammad Aadil, Soad K. Al Jaouni, Samy Selim, Sameh A. Korma and Carlos Adam Conte-Junior

Molecules 2022, 27(18), 5990; https://doi.org/10.3390/molecules27185990 - 14 Sep 2022

Cited by 9 | Viewed by 2402

Abstract

Emulgel is a new innovatory technique for drug development permitting controlled release of active ingredients for topical administration. We report a stable emulgel of 4% Piper nigrum extract (PNE) prepared using 80% ethanol. The PNE-loaded formulation had an antioxidant activity of 84% and tyrosinase inhibition was 82%. Prepared formulation rendered spherical-shaped globules with high zeta potential (−45.5 mV) indicative of a stable system. Total phenolic contents were 58.01 mg GAE/g of dry extract whereas total flavonoid content was 52.63 mg QE/g of dry extract. Sun protection factor for PNE-loaded emulgel was 7.512 and formulation was stable without any evidence of physical and chemical changes following 90 days of storage. Gas chromatography-mass spectroscopy (GC-MS) revealed seventeen bioactive compounds in the PNE including monoterpenoids, triterpenoids, a tertiary alcohol, fatty acid esters, and phytosterols. In silico studies of GC-MS identified compounds show higher binding affinity in comparison to standard kojic acid indicating tyrosinase inhibition. It can be concluded that PNE-loaded emulgel had prominent antioxidant and tyrosinase inhibition and can be utilized as a promising topical system for anti-aging skin formulation. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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13 pages, 977 KiB

Open AccessArticle

In Vivo and In Vitro Biological Evaluation and Molecular Docking Studies of Compounds Isolated from Micromeria biflora (Buch. Ham. ex D.Don) Benth

by Abdullah S. M. Aljohani, Fahad A. Alhumaydhi, Abdur Rauf, Essam M. Hamad and Umer Rashid

Molecules 2022, 27(11), 3377; https://doi.org/10.3390/molecules27113377 - 24 May 2022

Cited by 3 | Viewed by 1607

Abstract

Micromeria biflora, a traditional medicinal plant, is extensively used for treating various painful conditions, such as nose bleeds, wounds, and sinusitis. A phytochemical investigation of the chloroform fraction of Micromeria biflora led to the isolation of salicylalazine. Salicylalazine was assessed in vivo for analgesia, muscle relaxation, sedative, and anti-inflammatory properties, as well as in vitro for COX-1/2 inhibition activities. It was assessed against a hot plate-induced model at different doses. The muscle relaxant potential of salicylalazine was evaluated in traction and inclined screening models, while sedative properties were determined using an open-field model. The anti-inflammatory potential of salicylalazine was assessed in histamine and carrageenan-induced paw edema screening models. Salicylalazine exhibited significant analgesic potential in a dose-dependent manner. In both screening models, an excellent time-dependent muscle-relaxation effect was observed. Salicylalazine demonstrated excellent sedation at high doses. Its anti-inflammatory activity was determined through the initial and late phases of edema. It exhibited anticancer potential against NCI-H226, HepG2, A498, and MDR2780AD cell lines. In vitro, salicylalazine showed preferential COX-2 inhibition (over COX-1) with an SI value of 4.85. It was less effective in the initial phase, while, in the later phase, it demonstrated significant effects at 15 and 20 mg/kg doses compared with the negative control. Salicylalazine did not exhibit cytotoxicity in the MTT assay, preliminarily indicating its safety. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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Review

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25 pages, 2530 KiB

Open AccessReview

Molecular Aspects and Therapeutic Implications of Herbal Compounds Targeting Different Types of Cancer

by Aditi Sharma, Lalit Sharma, Shouvik Kumar Nandy, Nazrana Payal, Shivam Yadav, Celia Vargas-De-La-Cruz, Md. Khalid Anwer, Haroon Khan, Tapan Behl and Simona Gabriela Bungau

Molecules 2023, 28(2), 750; https://doi.org/10.3390/molecules28020750 - 11 Jan 2023

Cited by 11 | Viewed by 3248

Abstract

Due to genetic changes in DNA (deoxyribonucleic acid) sequences, cancer continues to be the second most prevalent cause of death. The traditional target-directed approach, which is confronted with the importance of target function in healthy cells, is one of the most significant challenges in anticancer research. Another problem with cancer cells is that they experience various mutations, changes in gene duplication, and chromosomal abnormalities, all of which have a direct influence on the potency of anticancer drugs at different developmental stages. All of these factors combine to make cancer medication development difficult, with low clinical licensure success rates when compared to other therapy categories. The current review focuses on the pathophysiology and molecular aspects of common cancer types. Currently, the available chemotherapeutic drugs, also known as combination chemotherapy, are associated with numerous adverse effects, resulting in the search for herbal-based alternatives that attenuate resistance due to cancer therapy and exert chemo-protective actions. To provide new insights, this review updated the list of key compounds that may enhance the efficacy of cancer treatment. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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41 pages, 2168 KiB

Open AccessReview

Polydatin: Pharmacological Mechanisms, Therapeutic Targets, Biological Activities, and Health Benefits

by Ahmad Karami, Sajad Fakhri, Leila Kooshki and Haroon Khan

Molecules 2022, 27(19), 6474; https://doi.org/10.3390/molecules27196474 - 01 Oct 2022

Cited by 21 | Viewed by 3337

Abstract

Polydatin is a natural potent stilbenoid polyphenol and a resveratrol derivative with improved bioavailability. Polydatin possesses potential biological activities predominantly through the modulation of pivotal signaling pathways involved in inflammation, oxidative stress, and apoptosis. Various imperative biological activities have been suggested for polydatin towards promising therapeutic effects, including anticancer, cardioprotective, anti-diabetic, gastroprotective, hepatoprotective, neuroprotective, anti-microbial, as well as health-promoting roles on the renal system, the respiratory system, rheumatoid diseases, the skeletal system, and women’s health. In the present study, the therapeutic targets, biological activities, pharmacological mechanisms, and health benefits of polydatin are reviewed to provide new insights to researchers. The need to develop further clinical trials and novel delivery systems of polydatin is also considered to reveal new insights to researchers. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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25 pages, 8507 KiB

Open AccessReview

Alkaloidal Phytoconstituents for Diabetes Management: Exploring the Unrevealed Potential

by Tapan Behl, Amit Gupta, Mohammed Albratty, Asim Najmi, Abdulkarim M. Meraya, Hassan A. Alhazmi, Md. Khalid Anwer, Saurabh Bhatia and Simona Gabriela Bungau

Molecules 2022, 27(18), 5851; https://doi.org/10.3390/molecules27185851 - 09 Sep 2022

Cited by 14 | Viewed by 3522

Abstract

The main characteristic feature of diabetes mellitus is the disturbance of carbohydrate, lipid, and protein metabolism, which results in insulin insufficiency and can also lead to insulin resistance. Both the acute and chronic diabetic cases are increasing at an exponential rate, which is also flagged by the World Health Organization (WHO) and the International Diabetes Federation (IDF). Treatment of diabetes mellitus with synthetic drugs often fails to provide desired results and limits its use to symptomatic treatment only. This has resulted in the exploration of alternative medicine, of which herbal treatment is gaining popularity these days. Owing to their safety benefits, treatment compliance, and ability to exhibit effects without disturbing internal homeostasis, research in the field of herbal and ayurvedic treatments has gained importance. Medicinal phytoconstituents include micronutrients, amino acids, proteins, mucilage, critical oils, triterpenoids, saponins, carotenoids, alkaloids, flavonoids, phenolic acids, tannins, and coumarins, which play a dynamic function in the prevention and treatment of diabetes mellitus. Alkaloids found in medicinal plants represent an intriguing potential for the inception of novel approaches to diabetes mellitus therapies. Thus, this review article highlights detailed information on alkaloidal phytoconstituents, which includes sources and structures of alkaloids along with the associated mechanism involved in the management of diabetes mellitus. From the available literature and data presented, it can be concluded that these compounds hold tremendous potential for use as monotherapies or in combination with current treatments, which can result in the development of better efficacy and safety profiles. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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21 pages, 1976 KiB

Open AccessReview

Insights into the Explicit Protective Activity of Herbals in Management of Neurodegenerative and Cerebrovascular Disorders

by Tapan Behl, Rashita Makkar, Aayush Sehgal, Neelam Sharma, Sukhbir Singh, Mohammed Albratty, Asim Najmi, Abdulkarim M. Meraya and Simona Gabriela Bungau

Molecules 2022, 27(15), 4970; https://doi.org/10.3390/molecules27154970 - 04 Aug 2022

Cited by 7 | Viewed by 3064

Abstract

The longstanding progressive neurodegenerative conditions of the central nervous system arise mainly due to deterioration, degradation and eventual neuronal cell loss. As an individual ages, the irreversible neurodegenerative disorders associated with aging also begin to develop, and these have become exceedingly prominent and pose a significant burden mentally, socially and economically on both the individual and their family. These disorders express several symptoms, such as tremors, dystonia, loss of cognitive functions, impairment of motor activity leading to immobility, loss of memory and many more which worsen with time. The treatment employed in management of these debilitating neurodegenerative disorders, such as Parkinson’s disease (which mainly involves the loss of dopaminergic neurons in the nigrostriatal region), Alzheimer’s disease (which arises due to accumulation of Tau proteins causing diffusive atrophy in the brain), Huntington’s disease (which involves damage of striatal and spinal neurons, etc.), have several adverse effects, leading to exploration of several lead targets and molecules existing in herbal drugs. The current review highlights the mechanistic role of natural products in the treatment of several neurodegenerative and cerebrovascular diseases such as Parkinson’s disease, Alzheimer’s disease, ischemic stroke and depression. Full article

(This article belongs to the Special Issue Bioactive Compounds: From Nature to Pharmaceutical Applications)

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