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Organic Compounds: Design, Synthesis and Biological Application

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A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Macromolecules".

Deadline for manuscript submissions: 30 April 2024 | Viewed by 8215

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Special Issue Editor

Prof. Dr. Jian Wu

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Guest Editor

National Key Laboratory of Green Pesticide, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for Research and Development of Fine Chemicals, Guizhou University, Guiyang 550025, China
Interests: design, synthesis and SAR study of new drug; organic synthesis; study on the synthesis of organic functional molecules; the action mechanism of active molecules
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Special Issue Information

Dear Colleagues,

Organic chemistry plays an essential role in the discovery and development of drugs. With the help of a wide variety of organic synthesis techniques, an unlimited number of small organic molecules can be created for drug screening purposes. Every year, a vast amount of organic compounds are synthesized, and there have been remarkable advances in the innovation of active molecules based on organic compounds, such as the rational design of heterocyclic pesticides/medicines, (biomimetic) synthesis, active screening, and the exploration of molecular targets.

The primary focus of this Special Issue is to showcase the design, synthesis, and biological application (active screen, risks assessment, mechanisms of action, etc.) of new organic compounds for drug discovery. We would be delighted to receive contributions of research articles, reviews, and short communications that document the design, synthesis and biological application of organic compounds and focus on (but are not limited to) the following themes:

Inventing new methods for obtaining organic compounds;
Heterocyclic compounds and their biological activity;
The design, synthesis and biological activity of new molecules;
Founding and action mechanism of organic compounds;
In silico, in vitro, and in vivo biological evaluation of organic compounds.

We look forward to receiving your contributions.

Prof. Dr. Jian Wu
Guest Editor

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

organic compounds
design
synthesis
biological activity
pesticide discovery
medicine discovery
mechanisms of action
natural compounds
active screening
structure–activity relationships (SAR)
risk assessment

Published Papers (6 papers)

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Research

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16 pages, 2949 KiB

Open AccessArticle

Synthesis of Mixed Phosphonate Esters and Amino Acid-Based Phosphonamidates, and Their Screening as Herbicides

by Simon Backx, Willem Desmedt, Andreas Dejaegere, Andreas Simoens, Jef Van de Poel, Dorota Krasowska, Kris Audenaert, Christian V. Stevens and Sven Mangelinckx

Int. J. Mol. Sci. 2024, 25(9), 4739; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms25094739 - 26 Apr 2024

Viewed by 231

Abstract

While organophosphorus chemistry is gaining attention in a variety of fields, the synthesis of the phosphorus derivatives of amino acids remains a challenging task. Previously reported methods require the deprotonation of the nucleophile, complex reagents or hydrolysis of the phosphonate ester. In this paper, we demonstrate how to avoid these issues by employing phosphonylaminium salts for the synthesis of novel mixed n-alkylphosphonate diesters or amino acid-derived n-alkylphosphonamidates. We successfully applied this methodology for the synthesis of novel N-acyl homoserine lactone analogues with varying alkyl chains and ester groups in the phosphorus moiety. Finally, we developed a rapid, quantitative and high-throughput bioassay to screen a selection of these compounds for their herbicidal activity. Together, these results will aid future research in phosphorus chemistry, agrochemistry and the synthesis of bioactive targets. Full article

(This article belongs to the Special Issue Organic Compounds: Design, Synthesis and Biological Application)

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16 pages, 5886 KiB

Open AccessArticle

Discovery of Novel Pentacyclic Triterpene Acid Amide Derivatives as Excellent Antimicrobial Agents Dependent on Generation of Reactive Oxygen Species

by Yihong Yang, Kunlun Chen, Guangdi Wang, Hongwu Liu, Lihui Shao, Xiang Zhou, Liwei Liu and Song Yang

Int. J. Mol. Sci. 2023, 24(13), 10566; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms241310566 - 24 Jun 2023

Cited by 1 | Viewed by 921

Abstract

Developing new agricultural bactericides is a feasible strategy for stopping the increase in the resistance of plant pathogenic bacteria. Some pentacyclic triterpene acid derivatives were elaborately designed and synthesized. In particular, compound A₂₂ exhibited the best antimicrobial activity against Xanthomonas oryzae pv. oryzae (Xoo) and Xanthomonas axonopodis pv. citri (Xac) with EC₅₀ values of 3.34 and 3.30 mg L⁻¹, respectively. The antimicrobial mechanism showed that the compound A₂₂ induced excessive production and accumulation of reactive oxygen species (ROS) in Xoo cells, leading to a decrease in superoxide dismutase and catalase enzyme activities and an increase in malondialdehyde content. A₂₂ also produced increases in Xoo cell membrane permeability and eventual cell death. In addition, in vivo experiments showed that A₂₂ at 200 mg L⁻¹ exhibited protective activity against rice bacterial blight (50.44%) and citrus canker disease (84.37%). Therefore, this study provides a paradigm for the agricultural application of pentacyclic triterpene acid. Full article

(This article belongs to the Special Issue Organic Compounds: Design, Synthesis and Biological Application)

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12 pages, 1800 KiB

Open AccessArticle

Screening Method and Antibacterial Activity of 1,3,4-Oxadiazole Sulfone Compounds against Citrus Huanglongbing

by Xin Luo, Yong Zhang, Xing Liu, Yue Zou, Hongyi Song, Sheng Wang and Jixiang Chen

Int. J. Mol. Sci. 2023, 24(13), 10515; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms241310515 - 22 Jun 2023

Viewed by 1021

Abstract

Citrus Huanglongbing (HLB) is one of the most destructive diseases in the citrus industry. At present, Candidatus Liberibacter asiaticus (CLas) cannot be cultured in vitro, and there is a lack of rapid methods to test antibacterial activity, which greatly hinders the discovery of new antibacterial agents against HLB. To establish a rapid screening method for antibacterial agents against HLB with simple operation, a short cycle, and a large number of tests, the CLas contents in leaves from different citrus branches, different leaves from the same citrus branch, and two halves of the same citrus leaf were detected. Compared with the leaves on different branches and different leaves on the same branch, the difference in CLas content of the left and right halves of the same leaf was small; the difference was basically between 0.7 and 1.3. A rapid and efficient method for primary screening agents against HLB termed the “half-leaf method” was established through our long-term optimization and improvement. To verify the stability and reliability of the activity data measured using this method, 6-chloropurine riboside, which is highly soluble in water, was used as the test agent, and its antibacterial activity against HLB was tested 45 times. The results of the antibacterial activity test showed little difference in the mean values of each data group, indicating that this method could be used as a rapid method for screening agents against HLB. We used this method to test the antibacterial activity of compounds synthesized by our research group against HLB and found that some of the compounds showed good activity. Full article

(This article belongs to the Special Issue Organic Compounds: Design, Synthesis and Biological Application)

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17 pages, 5755 KiB

Open AccessArticle

Novel Sulfonamide Derivatives Containing a Piperidine Moiety as New Bactericide Leads for Managing Plant Bacterial Diseases

by Jiao Xie, Zhou-Qing Long, Ai-Qun Chen, Ying-Guo Ding, Shi-Tao Liu, Xiang Zhou, Li-Wei Liu and Song Yang

Int. J. Mol. Sci. 2023, 24(6), 5861; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms24065861 - 20 Mar 2023

Cited by 3 | Viewed by 1716

Abstract

Plant bacterial diseases are an intractable problem due to the fact that phytopathogens have acquired strong resistances for traditional pesticides, resulting in restricting the quality and yield of agricultural products around the world. To develop new agrochemical alternatives, we prepared a novel series of sulfanilamide derivatives containing piperidine fragments and assessed their antibacterial potency. The bioassay results revealed that most molecules displayed excellent in vitro antibacterial potency towards Xanthomonas oryzae pv. oryzae (Xoo) and Xanthomonas axonopodis pv. citri (Xac). In particular, molecule C₄ exhibited outstanding inhibitory activity toward Xoo with EC₅₀ value of 2.02 µg mL⁻¹, which was significantly better than those of the commercial agents bismerthiazol (EC₅₀ = 42.38 µg mL⁻¹) and thiodiazole copper (EC₅₀ = 64.50 µg mL⁻¹). A series of biochemical assays confirmed that compound C₄ interacted with dihydropteroate synthase, and irreversibly damaged the cell membrane. In vivo assays showed that the molecule C₄ presented acceptable curative and protection activities of 34.78% and 39.83%, respectively, at 200 µg mL⁻¹, which were greater than those of thiodiazole and bismerthiazol. This study highlights the valuable insights for the excavation and development of new bactericides that can concurrently target dihydropteroate synthase and bacterial cell membranes. Full article

(This article belongs to the Special Issue Organic Compounds: Design, Synthesis and Biological Application)

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Review

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19 pages, 7635 KiB

Open AccessReview

Research Advances on the Bioactivity of 1,2,3-Triazolium Salts

by Jia Song, Jie Lv, Jiamiao Jin, Zhichao Jin, Tingting Li and Jian Wu

Int. J. Mol. Sci. 2023, 24(13), 10694; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms241310694 - 27 Jun 2023

Cited by 1 | Viewed by 1278

Abstract

1,2,3-Triazolium salts have demonstrated significant potential in the fields of medicine and agriculture, exhibiting exceptional antibacterial, antifungal, anticancer, and antileishmanial properties. Moreover, these salts can be utilized as additives or components to produce nano- and fiber-based materials with antibacterial properties. In this review, we summarize several synthetic strategies to obtain 1,2,3-triazolium salts and the structures of 1,2,3-triazolium derivatives with biological activities in the domains of pharmaceuticals, pesticides, and functional materials. Additionally, the structure–activity relationship (SAR) of 1,2,3-triazolium salts with different biological activities has been analyzed. Finally, this review presents the potential applications and prospects of 1,2,3-triazolium salts in the fields of agriculture, medicine, and industrial synthesis. Full article

(This article belongs to the Special Issue Organic Compounds: Design, Synthesis and Biological Application)

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29 pages, 7029 KiB

Open AccessReview

Heck Macrocyclization in Forging Non-Natural Large Rings including Macrocyclic Drugs

by Jiayou Cai, Bin Sun, Siqi Yu, Han Zhang and Weicheng Zhang

Int. J. Mol. Sci. 2023, 24(9), 8252; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms24098252 - 04 May 2023

Cited by 1 | Viewed by 2118

Abstract

The intramolecular Heck reaction is a well-established strategy for natural product total synthesis. When constructing large rings, this reaction is also referred to as Heck macrocyclization, which has proved a viable avenue to access diverse naturally occurring macrocycles. Less noticed but likewise valuable, it has created novel macrocycles of non-natural origin that neither serve as nor derive from natural products. This review presents a systematic account of the title reaction in forging this non-natural subset of large rings, thereby addressing a topic rarely covered in the literature. Walking through two complementary sections, namely (1) drug discovery research and (2) synthetic methodology development, it demonstrates that beyond the well-known domain of natural product synthesis, Heck macrocyclization also plays a remarkable role in forming synthetic macrocycles, in particular macrocyclic drugs. Full article

(This article belongs to the Special Issue Organic Compounds: Design, Synthesis and Biological Application)

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