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Medicinal and Pharmaceutical Development of Herbal Medicines and Natural Products

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A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Pharmaceutical Processes".

Deadline for manuscript submissions: closed (15 July 2023) | Viewed by 35734

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Special Issue Editors

Prof. Dr. Kelvin Chan

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Guest Editor

1. Centre for Natural Products Discovery, School of Pharmacy & Biomolecular Sciences, Liverpool John Moores University, Liverpool L3 3AF, UK
2. NICM Health Research Institute, Western Sydney University, Penrith, NSW 2751, Australia
Interests: QC and R&D of Chinese medicines; patient-reported outcomes (PROs) using TCM specific QOL linked with biomedical parameters in clinical studies and dynamic & kinetic mechanisms of drug-herb interactions

Prof. Dr. Karl Tsim

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Guest Editor

Division of Life Science, Hong Kong University of Science and Technology, Hong Kong, China
Interests: herbal standardization; herbal synergy; neurobiology

Dr. Yingqing Du

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Guest Editor

School of Life Sciences and Food Engineering, Hanshan Normal University, Chaozhou, China
Interests: my research interests focus on quality control of Traditional Chinese medicine (TCM) and pharmaceutical analysis; specifically, I study the functions of TCM in immune system and identify natural products for cancer prevention and therapy

Special Issue Information

Dear Colleagues,

Herbal medicines and natural products have long been used as sources and therapeutical leads for the research and development (R&D) of pharmaceuticals and are regarded as rich supplies of functional foods and nutraceuticals. They generate a huge variety of chemically diverse secondary metabolites that are specialized for biological functions but have yet to be thoroughly investigated. Some isolated bioactive chemical entities are being researched for patentable chemical analogues via medicinal chemistry R&D by the pharmaceutical industry. Recent breakthroughs in analytical and computational technologies have opened up new avenues for the processing of complex herbal medicines and the development of novel treatments. Despite the advancement of pharmaceuticals for the treatment and control of high-burden diseases, such as cancer and degenerative disorders, a vast number of people are still suffering, with significant mortality rates prevailing. Such observations indicate that conventional drug discovery centered on single molecules has failed to deliver viable therapies for numerous ailments. A key advantage of R&D of herbal medicines is the presence of accumulative ethnopharmacological knowledge, which highlights the therapeutic efficacy of phytochemicals in these natural products. Thus, there is renewed scientific interest in herbal-based drug discovery, and new approaches for the identification, characterization, and replenishment of natural products are being developed, which may overcome some of the challenges associated with herbal medication development. Mechanistic screenings based on systems biology approaches, combined with existing technologies, such as genomics, transcriptomics, proteomics, metabolomics/metabolomics, automation, and computational strategies, have paved the way forward for new drug discovery in multiple herbal combinations, resulting in improved therapeutic prospects. Recent scientific advances, technological advancements, and research trends clearly indicate that herbal medicines and natural products will remain one of the most important sources of new drugs in the future. This Special Issue may include the topics detailed below, among others:

General principles of quality assurance and formulary of herbal medicines;
Mechanism of actions for synergy of herbal medicines and natural products;
Genomics in plant-based natural product identification and biomarker identification;
Proteomics in natural product validation and biomarker identification;
Metabolomics and metabonomics approach to natural product drug discovery;
Big data in drug development for natural product drug development and precision medicines;
Clinical assessment of herbal medicines and natural products.

Prof. Dr. Kelvin Chan
Prof. Dr. Karl Tsim
Dr. Yingqing Du
Guest Editors

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Keywords

herbal medicines
natural products
medicinal and pharmaceutical development
quality assurance
composite herbal formulae
mechanisms of synergistic effects
integrative assessment of pharmacology
synergistic role of herbal medicines in conventional healthcare

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Published Papers (7 papers)

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14 pages, 1225 KiB

Open AccessArticle

Comparison of Volatile Compositions among Four Related Ligusticum chuanxiong Herbs by HS-SPME-GC-MS

by Shiwei Huang, Jiamei Chen, Wan Li, Shanghong Song, Xiaoxue Li, Han Yu, Fei Long, Rong Chen, Xiaoming Bao, Kelvin Chan and Guanghua Lu

Processes 2023, 11(1), 196; https://doi.org/10.3390/pr11010196 - 7 Jan 2023

Cited by 4 | Viewed by 2355

Abstract

Chuanxiong (CX, Ligusticum chuanxiong), Japanese Chuanxiong (JCX, Cnidium officinale), Fuxiong (FX, Ligusticum sinense ‘Fuxiong’), and Jinxiong (JX, Ligusticum sinense ‘Jinxiong’) are aromatic herbs used in China, Japan, and other regions. Their morphology and aromatic odor are similar, resulting in confused and mixed uses. This study compares the volatile compositions of these herbs for defining their medical uses. Headspace solid-phase microextraction–gas chromatography–triple quadrupole–mass spectrometry was employed to separate, identify, and quantify the compounds in the volatile gas of the four herbs. A total of 128 volatile compounds were identified and quantified in 23 these herbal samples. The sums of 106, 115, 116, and 120 compounds were detected in the volatile gas of CX, JCX, FX, and JX, with the mean contents of 4.80, 7.12, 7.67, and 12.0 μg/g, respectively. Types and contents of the main compounds were found to be different in the volatile gas of these herbs. The orthogonal partial least squares discriminant analysis and hierarchical clustering analysis showed the four herbs located in different confined areas or clusters. It is concluded that the volatile compositions in the four herbs are generally similar, but the contents of main volatile compounds are different. These herbs should be clearly differentiated in medical use. Full article

(This article belongs to the Special Issue Medicinal and Pharmaceutical Development of Herbal Medicines and Natural Products)

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26 pages, 4857 KiB

Open AccessArticle

Investigating Key Targets of Dajianzhong Decoction for Treating Crohn’s Disease Using Weighted Gene Co-Expression Network

by Yi Zhao, Shengpeng Wang, Yuanjia Hu and Yitao Wang

Processes 2023, 11(1), 112; https://doi.org/10.3390/pr11010112 - 31 Dec 2022

Viewed by 1896

Abstract

Background: Crohn’s disease (CD) is an inflammatory bowel disease, cases of which have substantially increased in recent years. The classical formula Dajianzhong decoction (DD, Japanese: Daikenchuto) is often used to treat CD, but few studies have evaluated related therapeutic mechanisms. In this study, we investigated the potential targets and mechanisms of DD used for treating CD at the molecular level through the weighted gene co-expression network. Methods: The main chemical components of the three DD herbs (Zanthoxylum bungeanum Maxim., Zingiber officinale (Willd.) Rosc., and Ginseng Radix et Rhizoma) were searched for using the HERB database. The targets for each component were identified using the SwissTargetPrediction and HERB databases, whereas the disease targets for CD were retrieved from the GeneCards and DisGeNET databases. The functional enrichment analysis was performed on the common targets of DD and CD. High-throughput sequencing data for CD patients were retrieved from the Gene Expression Omnibus database, and WGCNA was performed to identify the key targets. The association between the key targets and DD ingredients was verified using molecular docking. Results: By analyzing the interaction targets between DD and CD, 196 overlapping genes were identified. The enrichment results indicated that the PI3K-AKT, TNF, MAPK, and IL-17 signaling pathways influenced the mechanism of action of DD in counteracting CD. Combined with WGCNA, four differentially expressed genes (SLC6A4, NOS2, SHBG, and ABCB1) and their corresponding 24 compounds were closely related to the occurrence of CD. Conclusions: By integrating gene co-expression network analysis, this study preliminarily reveals the internal molecular mechanism of DD in treating CD from a systematic perspective, validated by molecular docking. However, these findings require further validation. Full article

(This article belongs to the Special Issue Medicinal and Pharmaceutical Development of Herbal Medicines and Natural Products)

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28 pages, 5518 KiB

Open AccessArticle

Nature-Derived Compounds as Potential Bioactive Leads against CDK9-Induced Cancer: Computational and Network Pharmacology Approaches

by Abu Saim Mohammad Saikat, Khattab Al-Khafaji, Hafeza Akter, Jong-Gu Choi, Mahbub Hasan and Sang-Suk Lee

Processes 2022, 10(12), 2512; https://doi.org/10.3390/pr10122512 - 25 Nov 2022

Cited by 1 | Viewed by 2067

Abstract

Given the importance of cyclin-dependent kinases (CDKs) in the maintenance of cell development, gene transcription, and other essential biological operations, CDK blockers have been generated to manage a variety of disorders resulting from CDK irregularities. Furthermore, CDK9 has a crucial role in transcription by regulating short-lived anti-apoptotic genes necessary for cancer cell persistence. Addressing CDK9 with blockers has consequently emerged as a promising treatment for cancer. This study scrutinizes the effectiveness of nature-derived compounds (geniposidic acid, quercetin, geniposide, curcumin, and withanolide C) against CDK9 through computational approaches. A molecular docking study was performed after preparing the protein and the ligands. The selected blockers of the CDK9 exerted reliable binding affinities (−8.114 kcal/mol to −13.908 kcal/mol) against the selected protein, resulting in promising candidates compared to the co-crystallized ligand (LCI). The binding affinity of geniposidic acid (−13.908 kcal/mol) to CDK9 is higher than quercetin (−10.775 kcal/mol), geniposide (−9.969 kcal/mol), curcumin (−9.898 kcal/mol), withanolide C (−8.114 kcal/mol), and the co-crystallized ligand LCI (−11.425 kcal/mol). Therefore, geniposidic acid is a promising inhibitor of CDK9. Moreover, the molecular dynamics studies assessed the structure–function relationships and protein–ligand interactions. The network pharmacology study for the selected ligands demonstrated the auspicious compound–target–pathway signaling pathways vital in developing tumor, tumor cell growth, differentiation, and promoting tumor cell progression. Moreover, this study concluded by analyzing the computational approaches the natural-derived compounds that have potential interacting activities against CDK9 and, therefore, can be considered promising candidates for CKD9-induced cancer. To substantiate this study’s outcomes, in vivo research is recommended. Full article

(This article belongs to the Special Issue Medicinal and Pharmaceutical Development of Herbal Medicines and Natural Products)

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13 pages, 3828 KiB

Open AccessArticle

Chemical Constituents, Quantitative Analysis, Anti-SARS-CoV-2 and Antioxidant Activities of Herbal Formula “Ping An Fang Yu Yin”

by Yun-Chen Tsai, Ming-Chung Lee, Yu-Hui Hsieh, Kun-Teng Wang, Chao-Yu Chen, Wu-Chang Chuang and Jih-Jung Chen

Processes 2022, 10(11), 2213; https://doi.org/10.3390/pr10112213 - 27 Oct 2022

Viewed by 2551

Abstract

COVID-19 is a global pandemic infectious disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The herbal formula, Ping An Fang Yu Yin (PAFYY), has been used to prevent respiratory viral infections for many years. This study aims to evaluate the effect of PAFYY on SARS-CoV-2 infection, oxidative stress, and inflammation via in vitro, investigate the chemical composition by full constituent quantitative analysis, and verify its anti-viral potential against SARS-CoV-2 using in silico. In this study, a total of eleven compounds, twenty amino acids, saccharide compositions, and trace elements were found and quantitatively determined by chromatographic techniques. PAFYY displayed free radical scavenging activity (DPPH, SC₅₀: 1.24 ± 0.09 mg/mL), SOD activity (68.71 ± 1.28%), inhibition of lipoxygenase activity (75.96 ± 7.64 mg/mL) and interfered the interaction of SARS-CoV-2 spike protein and angiotensin-converting enzyme 2 (48.04 ± 3.18%). Furthermore, in-silico analysis results supported that liquiritin, 3,5-dicaffeoylquinic acid, and luteolin-7-O-glucoside with the highest affinity between SARS-CoV-2 RBD and human angiotensin-converting enzyme II (hACE2) receptor. Our findings suggest that PAFYY has the potential for anti-SARS-CoV-2 infection, anti-oxidation stress, and anti-inflammation, and may be used as supplements for amelioration or prevention of COVID-19 symptoms, as well as the representative compounds can be used for quality control of PAFYY in the future. Full article

(This article belongs to the Special Issue Medicinal and Pharmaceutical Development of Herbal Medicines and Natural Products)

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12 pages, 3088 KiB

Open AccessArticle

Bojungikki-Tang Enhances the Effect of PD-1 Blockade in a Syngeneic Murine Model of Lung Carcinoma

by Jaemoo Chun, Han Na Kang, Jin-Mu Yi, Se Hyang Hong, Sang-Min Park and Mi-Kyung Jeong

Processes 2022, 10(9), 1683; https://doi.org/10.3390/pr10091683 - 25 Aug 2022

Cited by 3 | Viewed by 2139

Abstract

Although immunotherapy has become the standard of treatment for non-small cell lung cancer (NSCLC), only a limited number of patients benefit from it clinically because of the resistance to immunotherapeutic agents. Of late, the usefulness of herbal medicines in combination with immunotherapy has been investigated. Bojungikki-Tang (BJIKT) is a widely used traditional herbal medicine. It synergistically enhances the antitumor effects of chemotherapy and regulates the immune responses in cancer, but its antitumor effect with immunotherapy in NSCLC is unclear. In this study, we investigated the combined effects of BJIKT and an anti-PD-1 antibody in a KLN205-DBA/2 syngeneic lung cancer model. Immunohistochemistry and flow cytometry analyses were performed to analyze the changes in immune cells in the tumor microenvironment. BJIKT plus an anti-PD-1 antibody treatment significantly inhibited tumor growth, unlike the respective monotherapies. Compared to monotherapy, the combination treatment resulted in a higher population of CD8⁺ cytotoxic T cells and a lower number of Ki67⁺ cells in the tumor tissues. Furthermore, the combination treatment decreased the proportion of myeloid-derived suppressor cells but increased the proportion of M1-like macrophages compared to that observed with monotherapy. Cytokine analysis showed that the combination treatment increased the levels of T helper type 1-related cytokines. Network pharmacology analysis revealed that BJIKT might regulate multiple signaling pathways related to immune function and tumor progression in NSCLC. These findings indicate that the combination treatment with BJIKT and an anti-PD-1 antibody effectively suppresses tumor growth by regulating immune function and may be an alternative therapeutic option for the treatment of NSCLC. Full article

(This article belongs to the Special Issue Medicinal and Pharmaceutical Development of Herbal Medicines and Natural Products)

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17 pages, 4018 KiB

Open AccessArticle

Pharmacological Profile of Nigella sativa Seeds in Combating COVID-19 through In-Vitro and Molecular Docking Studies

by Subuhi Sherwani, Saravanan Rajendrasozhan, Mohd Wajid Ali Khan, Mohd Saleem, Mahvish Khan, Saif Khan, Mohamed Raafat and Fatimah Othman Alqahtani

Processes 2022, 10(7), 1346; https://doi.org/10.3390/pr10071346 - 11 Jul 2022

Cited by 6 | Viewed by 3374

Abstract

COVID-19 infection is associated with elevated oxidative stress, systemic hyper-inflammatory responses, endothelial dysfunction, and red blood cell membrane deformability. Nigella sativa extract is widely used in alternative and complementary medicine systems in a large population, due to its highly therapeutic, economic, natural, and safe nature. The aim of this study was to evaluate the effect of N. sativa extract on oxidative stress, hemolysis, proteolysis, and glycation through in vitro studies, as well as to find out its anti-viral potential against severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) using in silico studies. N. sativa seed extract (at 600 µg/mL) displayed 67.33% scavenging activity in the 2,2-diphenyl-1-picrylhydrazyl (DPPH) test, and 70.28% hydrogen peroxide reducing activity. N. sativa exhibited anti-proteolytic activity by decreasing heat-induced denaturation of bovine serum albumin (BSA) and egg albumin by 63.14% and 57.95%, respectively, and exhibited anti-proteinase potential of 66.28% at 600 μg/mL. In addition, heat-induced hemolysis and hypersalinity-induced hemolysis were inhibited by 57.86% and 61.7%, respectively, by the N. sativa seeds. N. sativa also inhibited browning intensity by 56.38%, and percent aggregation index by 51.38%, amyloid structure by 48.28%, and AGE-specific fluorescence by 52.18%, thereby protecting the native structure of BSA from glycation. The binding interactions between bioactive molecules of N. sativa seed with SARS-CoV-2 spike glycoprotein were proven by using in silico molecular docking tools. The functional amino acids involved in the interactions are Asp467, Thr108, Thr114, Ile468, Asn234, Gln155, Glu465, Arg466, Gly232, and Ile233, indicating the inhibiting property of N. sativa on SARS-CoV-2. Finally, we may infer that phytoconstituents of N. sativa seeds have the potential to protect against the spike protein of SARS-CoV-2. Studies on N. sativa seeds might act as a path to develop a potent alternative therapy against viral infections, especially COVID-19 infection, in the future. However, the limitations linked with the use of natural products are also needed to be considered in this regard. Full article

(This article belongs to the Special Issue Medicinal and Pharmaceutical Development of Herbal Medicines and Natural Products)

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39 pages, 2818 KiB

Open AccessReview

Current Trends in Toxicity Assessment of Herbal Medicines: A Narrative Review

by Alexandra Jităreanu, Adriana Trifan, Mădălina Vieriu, Ioana-Cezara Caba, Ioana Mârțu and Luminița Agoroaei

Processes 2023, 11(1), 83; https://doi.org/10.3390/pr11010083 - 28 Dec 2022

Cited by 28 | Viewed by 18363

Abstract

Even in modern times, the popularity level of medicinal plants and herbal medicines in therapy is still high. The World Health Organization estimates that 80% of the population in developing countries uses these types of remedies. Even though herbal medicine products are usually perceived as low risk, their potential health risks should be carefully assessed. Several factors can cause the toxicity of herbal medicine products: plant components or metabolites with a toxic potential, adulteration, environmental pollutants (heavy metals, pesticides), or contamination of microorganisms (toxigenic fungi). Their correct evaluation is essential for the patient’s safety. The toxicity assessment of herbal medicine combines in vitro and in vivo methods, but in the past decades, several new techniques emerged besides conventional methods. The use of omics has become a valuable research tool for prediction and toxicity evaluation, while DNA sequencing can be used successfully to detect contaminants and adulteration. The use of invertebrate models (Danio renio or Galleria mellonella) became popular due to the ethical issues associated with vertebrate models. The aim of the present article is to provide an overview of the current trends and methods used to investigate the toxic potential of herbal medicinal products and the challenges in this research field. Full article

(This article belongs to the Special Issue Medicinal and Pharmaceutical Development of Herbal Medicines and Natural Products)

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