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The Development of Bioactive Compounds Based on Naturally Occurring Compounds
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The Development of Bioactive Compounds Based on Naturally Occurring Compounds

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

Deadline for manuscript submissions: closed (30 April 2024) | Viewed by 16797

Special Issue Editors

Dr. Hanbing Li

E-Mail Website
Guest Editor
College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou, China
Interests: metabolic diseases; cancer; drug candidates; drug screening; structure modification; phytochemicals
Prof. Dr. Xinzhou Yang

E-Mail Website
Guest Editor
School of Pharmaceutical Sciences, South-Central Minzu University, Wuhan, China
Interests: natural products; bioactive; drug screening; structural determination

Special Issue Information

Dear Colleagues,

Naturally occurring compounds initially from plants, animals and microorganisms have garnered great attention given their diversity of chemical structure and therapeutic potential against metabolic diseases, cancer, infectious diseases and others. Nevertheless, challenges still exist for the development of bioactive compounds, and eventually drug discovery based on nature products, such as difficulties to screening, isolation, characterization and optimization. Thus, technological developments and application including new methods for in-situ analysis, target identification, action elucidation, isolation and structural determination, and structure optimization will facilitate the search and subsequent development of bioactive compounds. Meanwhile, the advances in chemistry, molecular biology and bioinformatics with new techniques will promote the research and development in this field.

Major topics of interest include, but are not limited to the following:

  1. Extraction, isolation, characterization and bioactivity evaluation of novel and bioactive compounds from natural products against metabolic diseases, cancers, infectious diseases, and others;
  2. New methods for in-situ analysis, target identification, action elucidation, isolation and structural determination, and structure optimization;
  3. Elucidation and engineered manipulation of biosynthetic pathways of bioactive secondary metabolites.

Dr. Hanbing Li
Prof. Dr. Xinzhou Yang
Guest Editors

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Keywords

  • natural products
  • bioactivity evaluation
  • target identification
  • structure determination
  • metabolic diseases
  • cancer
  • infectious diseases

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Published Papers (6 papers)

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Research

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15 pages, 697 KiB  
Article
Comparative Analysis of Chemical Composition of Zanthoxylum myriacanthum Branches and Leaves by GC-MS and UPLC-Q-Orbitrap HRMS, and Evaluation of Their Antioxidant Activities
by Wei Dai, Liangqian Zhang, Liping Dai, Yuan Tian, Xinger Ye, Sina Wang, Jingtao Li and Qi Wang
Molecules 2023, 28(15), 5631; https://doi.org/10.3390/molecules28155631 - 25 Jul 2023
Cited by 1 | Viewed by 1813
Abstract
Zanthoxylum myriacanthum Wall. ex Hook. f., a plant belonging to the Rutaceae family and the Zanthoxylum genus, is extensively utilized for its medicinal properties and as a culinary seasoning in China and Southeast Asian countries. However, the chemical composition and biological activities of [...] Read more.
Zanthoxylum myriacanthum Wall. ex Hook. f., a plant belonging to the Rutaceae family and the Zanthoxylum genus, is extensively utilized for its medicinal properties and as a culinary seasoning in China and Southeast Asian countries. However, the chemical composition and biological activities of Z. myriacanthum branches and leaves remain insufficiently explored. In this study, the volatile and non-volatile components of Z. myriacanthum branches and leaves were analyzed using GC-MS and UPLC-Q-Orbitrap HRMS techniques. A total of 78 volatile compounds and 66 non-volatile compounds were identified. The volatile compounds were predominantly terpenoids and aliphatic compounds, while the non-volatile compounds were primarily flavonoids and alkaloids. The branches contained 52 volatile compounds and 33 non-volatile compounds, whereas the leaves contained 48 volatile compounds and 40 non-volatile compounds. The antioxidant activities of the methanol extracts from Z. myriacanthum branches and leaves were evaluated using ABTS and DPPH free-radical-scavenging assays, both of which demonstrated certain antioxidant activity. The methanol extract of leaves demonstrated significantly higher antioxidant activity compared to that of the branches, possibly due to the higher presence of flavonoids and phenols in the leaves, with IC50 values of 7.12 ± 0.257 μg/mL and 1.22 × 102 ± 5.01 μg/mL for ABTS and DPPH, respectively. These findings enhance our understanding of the chemical composition and antioxidant potential of Z. myriacanthum. The plant holds promise as a natural source of antioxidants for applications in pharmaceuticals, cosmetics, and functional foods. Further research can explore its broader biological activities and potential applications. Full article
(This article belongs to the Special Issue The Development of Bioactive Compounds Based on Naturally Occurring Compounds)
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12 pages, 3631 KiB  
Article
Functional Study and Efficient Catalytic Element Mining of CYP76AHs in Salvia Plants
by Zhenyu Zhao, Dongfeng Yang, Juan Guo, Xiuyu Liu, Qishuang Li, Ping Su, Jian Wang, Ying Ma and Luqi Huang
Molecules 2023, 28(12), 4711; https://doi.org/10.3390/molecules28124711 - 12 Jun 2023
Cited by 2 | Viewed by 1472
Abstract
Salvia is a large genus with hundreds of species used in traditional Chinese medicine. Tanshinones are a highly representative class of exclusive compounds found in the Salvia genus that exhibit significant biological activity. Tanshinone components have been identified in 16 Salvia species. The [...] Read more.
Salvia is a large genus with hundreds of species used in traditional Chinese medicine. Tanshinones are a highly representative class of exclusive compounds found in the Salvia genus that exhibit significant biological activity. Tanshinone components have been identified in 16 Salvia species. The CYP76AH subfamily (P450) is crucial for the synthesis of tanshinone due to its catalytic generation of polyhydroxy structures. In this study, a total of 420 CYP76AH genes were obtained, and phylogenetic analysis showed their clear clustering relationships. Fifteen CYP76AH genes from 10 Salvia species were cloned and studied from the perspectives of evolution and catalytic efficiency. Three CYP76AHs with significantly improved catalytic efficiency compared to SmCYP76AH3 were identified, providing efficient catalytic elements for the synthetic biological production of tanshinones. A structure–function relationship study revealed several conserved residues that might be related to the function of CYP76AHs and provided a new mutation direction for the study of the directed evolution of plant P450. Full article
(This article belongs to the Special Issue The Development of Bioactive Compounds Based on Naturally Occurring Compounds)
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16 pages, 2473 KiB  
Article
Identification of Chemical Constituents in Blumea balsamifera Using UPLC–Q–Orbitrap HRMS and Evaluation of Their Antioxidant Activities
by Liping Dai, Shengnan Cai, Dake Chu, Rui Pang, Jianhao Deng, Xilong Zheng and Wei Dai
Molecules 2023, 28(11), 4504; https://doi.org/10.3390/molecules28114504 - 1 Jun 2023
Cited by 4 | Viewed by 2997
Abstract
Blumea balsamifera (L.) DC., a perennial herb in the Asteraceae family native to China and Southeast Asia, has a notable history of medicinal use due to its pharmacological properties. Using UPLC–Q–Orbitrap HRMS techniques, we systematically investigated the chemical constituents of this plant. A [...] Read more.
Blumea balsamifera (L.) DC., a perennial herb in the Asteraceae family native to China and Southeast Asia, has a notable history of medicinal use due to its pharmacological properties. Using UPLC–Q–Orbitrap HRMS techniques, we systematically investigated the chemical constituents of this plant. A total of 31 constituents were identified, of which 14 were flavonoid compounds. Significantly, 18 of these compounds were identified in B. balsamifera for the first time. Furthermore, the mass spectrometry fragmentation patterns of significant chemical constituents identified in B. balsamifera were analyzed, providing important insights into their structural characteristics. The in vitro antioxidative potential of the methanol extract of B. balsamifera was assessed using DPPH and ABTS free-radical-scavenging assays, total antioxidative capacity, and reducing power. The antioxidative activity exhibited a direct correlation with the mass concentration of the extract, with IC50 values of 105.1 ± 0.503 μg/mL and 12.49 ± 0.341 μg/mL for DPPH and ABTS, respectively. For total antioxidant capacity, the absorbance was 0.454 ± 0.009 at 400 μg/mL. In addition, the reducing power was 1.099 ± 0.03 at 2000 μg/mL. This study affirms that UPLC–Q–Orbitrap HRMS can effectively discern the chemical constituents in B. balsamifera, primarily its flavonoid compounds, and substantiates its antioxidative properties. This underscores its potential utility as a natural antioxidant in the food, pharmaceutical, and cosmetics sectors. This research provides a valuable theoretical basis and reference value for the comprehensive development and utilization of B. balsamifera and expands our understanding of this medicinally valuable plant. Full article
(This article belongs to the Special Issue The Development of Bioactive Compounds Based on Naturally Occurring Compounds)
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17 pages, 2522 KiB  
Article
α-Glucosidase Inhibitors from Two Mangrove-Derived Actinomycetes
by Xuejun Lu, Manlai Zhang, Yixian Qiu, Xiuxiu Liu, Cancan Wang, Jianwei Chen, Huawei Zhang, Bin Wei, Yanlei Yu, Youmin Ying, Kui Hong and Hong Wang
Molecules 2023, 28(9), 3822; https://doi.org/10.3390/molecules28093822 - 29 Apr 2023
Cited by 8 | Viewed by 2560
Abstract
α-Glucosidase (AGS) inhibitors have been regarded as an ideal target for the management of type 2 diabetes mellitus (T2DM) since they can maintain an acceptable blood glucose level by delaying the digestion of carbohydrates and diminishing the absorption of monosaccharides. In the process [...] Read more.
α-Glucosidase (AGS) inhibitors have been regarded as an ideal target for the management of type 2 diabetes mellitus (T2DM) since they can maintain an acceptable blood glucose level by delaying the digestion of carbohydrates and diminishing the absorption of monosaccharides. In the process of our endeavor in mining AGS inhibitors from natural sources, the culture broth of two mangrove-derived actinomycetes Streptomyces sp. WHUA03267 and Streptomyces sp. WHUA03072 exhibited an apparent inhibitory activity against AGS. A subsequent chemical investigation into the two extracts furnished 28 secondary metabolites that were identified by spectroscopic methods as two previously undescribed linear polyketides 1–2, four benzenoid ansamycins 3–6, fourteen cyclodipeptides 7–18, one prenylated indole derivative 19, two fusicoccane-type diterpenoids 20–21, two hydroxamate siderophore 22–23, and five others 24–28. Among all of the isolates, 11 and 24 were obtained from actinomycetes for the first time, while 20–21 had never been reported to occur in a marine-derived microorganism previously. In the in vitro AGS inhibitory assay, compounds 3, 8, 9, 11, 14, 16, and 17 exhibited potent to moderate activity with IC50 values ranging from 35.76 ± 0.40 to 164.5 ± 15.5 μM, as compared with acarbose (IC50 = 422.3 ± 8.4 μM). The AGS inhibitory activity of 3, 9, 14, 16, and 17 was reported for the first time. In particular, autolytimycin (3) represented the first ansamycin derivative reported to possess the AGS inhibitory activity. Kinetics analysis and molecular docking were performed to determine the inhibition types and binding modes of these inhibitors, respectively. In the MTT assay, 3, 8, 9, 11, 14, 16, and 17 exhibited no apparent cytotoxicity to the human normal hepatocyte (LO2) cells, suggesting satisfactory safety of these AGS inhibitors. Full article
(This article belongs to the Special Issue The Development of Bioactive Compounds Based on Naturally Occurring Compounds)
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Review

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35 pages, 1779 KiB  
Review
A Comprehensive Review of the Pharmacology, Chemistry, Traditional Uses and Quality Control of Star Anise (Illicium verum Hook. F.): An Aromatic Medicinal Plant
by Qiyuan Zou, Yuanyuan Huang, Wenyan Zhang, Chen Lu and Jingquan Yuan
Molecules 2023, 28(21), 7378; https://doi.org/10.3390/molecules28217378 - 1 Nov 2023
Cited by 14 | Viewed by 4794
Abstract
Illicium verum Hook. F., also known as star anise, is one of the most important plants of the genus Anise in the family Magnoliaceae. I. verum not only has the functions of warming Yang, dispersing cold, regulating Qi and relieving pain but can [...] Read more.
Illicium verum Hook. F., also known as star anise, is one of the most important plants of the genus Anise in the family Magnoliaceae. I. verum not only has the functions of warming Yang, dispersing cold, regulating Qi and relieving pain but can also be used as a condiment to increase flavor as well as reconcile and remove fish smells. Currently, 201 chemical constituents have been identified from star anise; among these, star anise oil and shikimic acid are the two most widely used and studied chemical components in star anise, with the oil accounting for a large proportion of the total. This review integrates, classifies and updates studies related to the botany, pharmacology, phytochemistry, traditional and modern uses and quality control of star anise, with a special reference to its phytochemical composition and pharmacological activity. It will provide a reference for further research on this important medicinal plant. In addition, the broad applications and research profiles of star anise essential oil and shikimic acid are highlighted. Our review indicates that the research prospects regarding star anise are very broad and worthy of further investigation. Full article
(This article belongs to the Special Issue The Development of Bioactive Compounds Based on Naturally Occurring Compounds)
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30 pages, 2720 KiB  
Review
Chemistry, Bioactivity, and Prediction of the Quality Marker (Q-Marker) of Ferula Plants in China: A Review
by Yerlan Bahetjan, Muguli Muhaxi, Kejian Pang, Murat Kizaibek, Hui Tang, Fatemeh Sefidkon and Xinzhou Yang
Molecules 2023, 28(13), 5191; https://doi.org/10.3390/molecules28135191 - 4 Jul 2023
Cited by 4 | Viewed by 2328
Abstract
The genus of Ferula belongs to the family Apiaceae, and many Ferula plants are used as traditional Chinese medicines. Ferula plants were initially identified as early as the “Newly Revised Materia Medica” written in the Tang Dynasty (AD 659), and several of them [...] Read more.
The genus of Ferula belongs to the family Apiaceae, and many Ferula plants are used as traditional Chinese medicines. Ferula plants were initially identified as early as the “Newly Revised Materia Medica” written in the Tang Dynasty (AD 659), and several of them are also recognized as the traditional medicines of the Uygur, Kazakh, and Mongolian. Ferula plants are distributed in China, Russia, India, Africa, Central Asia, and other places. Currently, the chemical components derived from Ferula plants are mainly coumarins, sesquiterpenes, and volatile oils. Ferula plants can exhibit diverse pharmacological activities such as anti-allergy, analgesia, relieving cough, anticoagulation, and anti-tumor. Therefore, this article summarized the domestic research conducted on the genus Ferula, appropriately combines the research status of the foreign genus Ferula, and describes the chemical composition, biological activity, toxicity issues, and Q-marker prediction. In addition, all the related studies about the genus Ferula are summarized by analyzing the various databases such as CNKI, Wanfang data, PubChem and SciFinder. Full article
(This article belongs to the Special Issue The Development of Bioactive Compounds Based on Naturally Occurring Compounds)
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