High value-added application of renewable natural forest product 3-carene: discovery of diacylthiosemicarbazide compounds as potential laccase inhibitors.

Background: The application of pesticides remains the most effective method for managing crop pests, weeds and diseases. However, owing to issues such as resistance to pesticides, environmental pollution, health problems and consumer demand for food safety, it is highly desirable to research and develop green and environmentally-friendly novel pesticides.

Results: Twenty-three novel 3-carene-derived diacylthiosemicarbazide compounds were synthesized and characterized.

Design, Synthesis, and Action Mechanism of 3-Carene-Based Acylhydrazone Compounds as Potential Novel Herbicidal Candidates.

In an attempt to discover natural-product-derived novel green herbicides, 26 novel 3-carene-based acylhydrazone compounds were designed and synthesized. Their chemical structures were characterized by FTIR, NMR, HRMS, NOESY, and single-crystal X-ray diffraction. The herbicidal activity of the target compounds was evaluated, and the target compound exhibited good herbicidal activity against the dicotyledonous plant and the monocotyledonous plant L.

Synthesis, Antiproliferative Activity, and Molecular Simulation Study of Novel Nootkatone Derivatives Containing Pyrazole-amide Moiety.

To explore new types of anticancer drugs, a series of novel nootkatone-derived pyrazole-amide compounds were synthesized by the multi-step reaction using natural product nootkatone as starting material. The structures of the synthesized compounds were confirmed by Fourier-transform infrared, proton nuclear magnetic resonance (H NMR), carbon-13 NMR, and high-resolution mass spectrometry. In vitro antiproliferative activity of the target compounds against human hepatocellular carcinoma cells (SMMC-7721, Huh7, and HepG2) and human breast cancer cell lines (MCF-7) has been assessed by the Cell Counting Kit-8 method.

Synthesis, antifungal activity, and molecular simulation study of nootkatone-based thiazole-hydrazone compounds as novel succinate dehydrogenase inhibitor.

Background: Plant diseases cause huge losses in agriculture worldwide every year, but the prolonged use of current commercial fungicides has led to the development of resistance in plant pathogenic fungi. Therefore, there is an urgent need to develop new, efficient, and green fungicides.

Results: Twenty-three nootkatone-based thiazole-hydrazone compounds were designed, synthesized, and characterized by Fourier-transform infrared (FTIR), proton (H) nuclear magnetic resonance (NMR), carbon-13 (C) NMR, and high-resolution mass spectrometry (HRMS).

Synthesis, Antifungal Activity, and Action Mechanism of Anethole-Derived Amide-Urea Compounds.

In order to develop new antifungal molecules and explore further applications of natural products, 25 novel amide-urea compounds were synthesized from anethole in this work by a few simple reactions, and structural confirmation was conducted using H-nuclear magnetic resonance (H-NMR), C-NMR, high-resolution mass spectrometry, and Fourier transform infrared spectroscopy. Preliminary bioactivity tests were performed against eight plant pathogens. The results demonstrated that all compounds exhibited antifungal activity against the tested fungi, and 5p exhibited the most potent antifungal activity.

Synthesis and Antifungal Activity Evaluation of Novel -Carvone-Based 1,3,4-Thiadiazole-amide Derivatives as a Potential Succinate Dehydrogenase Inhibitor.

In an effort to explore new-type high-efficiency antifungal agents, 25 novel -carvone-based 1,3,4-thiadiazole-amide derivatives were designed, synthesized, and structurally characterized by IR, H NMR, C NMR, and high-resolution mass spectrometry (HRMS) analyses. The antifungal activity of the target compounds was preliminarily assayed at a concentration of 50 μg/mL, and boscalid, a commercialized fungicide identified as a succinate dehydrogenase inhibitor (SDHI), was employed as the positive control. It was found that all of the target compounds showed moderate to potent antifungal activity against the tested fungi compared to boscalid.

Design and Synthesis of 3-Carene-Derived Amide-Thiourea/Nanochitosan Complexes with Excellent Laccase Inhibitory Activity and Sustained Releasing Performance for Crop Protection.

The discovery of natural product-derived novel nanopesticide systems can effectively address the adverse effects caused by the improper use of traditional fungicides. In this research, 33 novel 3-carene-derived amide-thiourea derivatives - were designed using laccase as the biological target, synthesized from natural renewable forest biomass resource 3-carene as the starting material, and structurally confirmed by Fourier-transform infrared spectroscopy, nuclear magnetic resonance, high-resolution mass spectrometry, and single crystal X-ray diffraction. The antifungal activity of the target compounds against eight plant pathogenic fungi was evaluated, and the results presented that target compound exhibited excellent and broad-spectrum antifungal activity against the eight tested phytopathogenic fungi.

Synthesis, antifungal activity, and 3d-QSAR study of carvone-based pyrazole-oxime ester compounds.

Natural products can provide versatile substructures with potential bioactivity and biocompatibility for exploring bioactive compounds. Herein, to explore novel natural product-derived antifungal agents, 21 unreported -carvone-based pyrazole-oxime ester compounds were synthesised using carvone as raw material, and structurally characterised by means of FT-IR,H NMR,C NMR, and HRMS. The results of the bioactivity tests showed that the target compounds exhibited certain antifungal activity against the eight tested plant fungi at the concentration of 50 mg/L, especially for .

An Effective and Promising Strategy for Plant Protection: Synthesis of -Carvone-Based Thiazolinone-Hydrazone/Nanochitosan Complexes with Antifungal Activity and Sustained Releasing Performance.

The development of novel natural product-derived nano-pesticide systems with loading capacity and sustained releasing performance of bioactive compounds is considered an effective and promising plant protection strategy. In this work, 25 -carvone-based thiazolinone-hydrazone compounds ~ were synthesized by the multi-step modification of -carvone and structurally confirmed. Compound was found to show favorable and broad-spectrum antifungal activity through the in vitro antifungal activity evaluation of compounds ~ against eight phytopathogenic fungi.

Synthesis, Antifungal Activity, and Molecular Simulation Study of L-Carvone-Derived 1,3,4-Oxadiazole-Thioether Compounds.

To discover potent antifungal molecules with new and distinctive structures, 20 novel L-carvone-derived 1,3,4-oxadiazole-thioether compounds 5 a-5 t were synthesized through multi-step reaction of L-carvone, and their structures were confirmed by FT-IR, H-NMR, C-NMR, and HR-MS. The antifungal activities of compounds 5 a-5 t were preliminarily tested by in vitro method, and the results indicated that all of the title compounds displayed certain antifungal activities against the eight tested plant fungi, especially for P. piricola.

Synthesis, Antifungal Activity, 3D-QSAR and Controlled Release on Hydrotalcite Study of Longifolene-Derived Diphenyl Ether Carboxylic Acid Compounds.

Twenty-two novel longifolene-derived diphenyl ether-carboxylic acid compounds were synthesized from renewable biomass resources longifolene, and their structures were confirmed by FT-IR, H NMR, C NMR, and HRMS. The preliminary evaluation of in vitro antifungal activity displayed that compound presented inhibition rates of 85.9%, 82.

Synthesis, Antiproliferative Evaluation, and Molecular Docking Study of Novel Longifolene-Derived Tetraline Fused Thiazole-Amide Derivatives.

Twenty novel longifolene-derived tetraline fused thiazole-amide compounds were synthesized from longifolene, a renewable natural resource. Their structures were characterized by FT-IR, NMR, ESI-MS, and elemental analysis. The in vitro antiproliferative activity of these compounds against SK-OV-3 ovarian cancer cell lines, MCF-7 human breast cancer cell lines, HepG2 human liver cancer cell lines, A549 human lung adenocarcinoma cell lines, and T-24 human bladder cancer cell lines was tested by MTT assay.

Synthesis of ()/()-Verbenone Oxime Ethers and Photoresponsive Behavior to Herbicidal Activity.

The accumulation of residual active herbicides in the environment can cause a series of problems. It is thus meaningful to explore a photoresponsive herbicide, whose activity can be weakened under the action of light to reduce the negative effect. To this purpose, a series of ()/()-verbenone oxime ethers were designed, synthesized, and characterized.

Synthesis, Antifungal Activity, and Molecular Docking Study of Novel 3-Carene-Derived 4-Substituted Phenyl-1,2,4-Triazolinthiones Bearing gem-Dimethylcyclopropane Moiety.

For exploring new natural product-based leading compounds with antifungal activity, 15 novel 3-carene-derived 4-substituted phenyl-1,2,4-triazolinthiones 7a∼7o bearing gem-dimethylcyclopropane moiety were synthesized and structurally characterized by UV/VIS, FT-IR, H-NMR, C-NMR, ESI-MS and elemental analysis. The preliminary bioassay at 50 μg/mL showed that all of the target compounds exhibited certain in vitro inhibitory activities against the eight tested fungi, in which compound 7g (R=m, p-Cl) displayed better inhibition activity (85.0 %) against P.

High value-added application of natural forest product pinene: design, synthesis and 3D-QSAR study of novel campholenic aldehyde-based 4-methyl-1,2,4-triazole-thioether compounds with significant herbicidal activity.

For exploring novel natural product-derived herbicides, 16 novel campholenic aldehyde-based 4-methyl-1,2,4-triazole-thioether compounds were designed, synthesized, and characterized by FT-IR, H NMR, C NMR, ESI-MS and elemental analysis. The preliminary bioassay showed that, at 100 g/mL, most of the target compounds displayed significant inhibition activity against root-growth of rape( L.), with inhibition rates of 85.

Identification of chromatin organization-related gene signature for hepatocellular carcinoma prognosis and predicting immunotherapy response.

Background: Chromatin organization is associated with tumorigenesis; however, information on its role in hepatocellular carcinoma (HCC) is limited. Moreover, although immune checkpoint inhibitors (ICIs) have proven effective against HCC, the optimal index remains unknown. In this study, we aimed to construct a chromatin organization-related gene signature (CORGS) for prognosis and predicting response to ICIs in HCC.

FOXM1 Promotes Malignant Proliferation of Esophageal Squamous Cell Carcinoma Through Transcriptional Activating CDC6.

Forkhead box M1 (FOXM1) is a proliferative transcription factor and plays a vital role in many cancers. However, the function and molecular mechanism of FOXM1 in esophageal squamous cell carcinoma (ESCC) remain poorly understood. Hence, we aim to clarify the molecular basis of FOXM1-mediated ESCC progression.

Synthesis of 3-carene-derived nanocellulose/1,3,4-thiadiazole-amide complexes with antifungal activity for plant protection.

Background: Nanopesticides have been proved to be a powerful and promising tool to solve the issues in agriculture. The purpose of the present study was to develop ecofriendly nanopesticide systems by the strategy of comprehensive utilization of two natural biomass resources (bagasse and turpentine oil) because of their incomparable advantages.

Results: In this research, a series of nanocellulose carriers ETOCN-1-ETOCN-4 (ETOCN, esterified TEMPO-oxidized cellulose nanofibers) with different degrees of substitution were prepared and characterized by Fourier-transform infrared (FTIR), X-ray diffraction (XRD) and transmission electron microscopy (TEM).

Synthesis, Antifungal Activity and 3D-QSAR Study of Novel Anisaldehyde-Derived Amide-Thiourea Compounds.

Succinate dehydrogenase (SDH) is an important target enzyme for designing agricultural chemical fungicides. In order to explore novel natural product-based antifungal agents, twenty-one unreported anisaldehyde-derived amide-thiourea compounds were designed and synthesized using the principle of active splicing, and structurally confirmed by H-NMR, C-NMR, ESI-MS, FT-IR, and element analysis. In vitro antifungal activity of the target compounds was evaluated by the agar dilution method.

Synthesis and Antitumor Evaluation of Menthone-Derived Pyrimidine-Urea Compounds as Potential PI3K/Akt/mTOR Signaling Pathway Inhibitor.

A series of novel menthone derivatives bearing pyrimidine and urea moieties was designed and synthesized to explore more potent natural product-derived antitumor agents. The structures of the target compounds were confirmed by FTIR, NMR, and HRMS. The antitumor activity was tested by standard methyl thiazolytetrazolium assay and showed that , , , and are the best compounds with IC values of 6.

Synthesis, Antifungal Activity, 3D-QSAR, and Molecular Docking Study of Novel Menthol-Derived 1,2,4-Triazole-thioether Compounds.

A series of novel menthol derivatives containing 1,2,4-triazole-thioether moiety were designed, synthesized, characterized structurally, and evaluated biologically to explore more potent natural product-based antifungal agents. The bioassay results revealed that at 50 μg/mL, some of the target compounds exhibited good inhibitory activity against the tested fungi, especially against . Compounds (R = -CH Ph), (R = -Cl Ph), (R = ,-OCH Ph) and (R = -furyl) had inhibition rates of 93.

Synthesis, 3D-QSAR and Molecular Docking Study of Nopol-Based 1,2,4-Triazole-Thioether Compounds as Potential Antifungal Agents.

Cytochrome complex is an important component of cellular respiratory chain, and it is also an important target enzyme to inhibit the growth of plant pathogens. Using cytochrome complex as the target enzyme, twenty-three novel nopol-based 1,2,4-triazole-thioether compounds were designed and synthesized from natural preponderant resource -pinene, and their structures were confirmed by FT-IR, NMR, ESI-MS and elemental analysis. The antifungal activity of the target compounds was preliminarily evaluated against eight plant pathogens at the concentration of 50 µg/ml.

Synthesis of Myrtenal-Based Nanocellulose/Diacylhydrazine Complexes with Antifungal Activity for Plant Protection.

In search of novel bioactive compounds with excellent and broad-spectrum antifungal activity and nanopesticides with sustained releasing property, a series of novel myrtenal-based diacylhydrazines were designed, synthesized, and characterized. The preliminary bioassay showed that myrtenal-based 2-picolinyl hydrazide exhibited better or comparable antifungal activity than that of the commercial fungicides boscalid and chlorothalonil against the tested fungi. Furthermore, myrtenal-based nanocellulose was designed as a nanopesticide carrier and prepared from two biomass materials, bleached bagasse pulp and turpentine oil.

Synthesis and Biological Activities of Novel (Z)-/(E)-Anisaldehyde-Based Oxime Ester Compounds.

In search of novel natural product-based bioactive molecules, twenty (ten pairs) novel (Z)-/(E)-anisaldehyde-based oxime ester compounds were designed and synthesized by using anisaldehyde as starting material. Structural characterization of the target compounds was carried out by NMR, FT-IR, ESI-MS, and elemental analysis. Their herbicidal and antifungal activities were preliminarily tested.

Synthesis, antifungal activity and 3D-QSAR study of novel acyl thiourea compounds containing gem-dimethylcyclopropane ring.

A series of novel acyl thiourea compounds containing gem-dimethylcyclopropane ring were designed and synthesized by multi-step reactions in search of novel antifungal molecules. Structures of all the target compounds were characterized by spectral techniques of UV-vis, FT-IR, H-NMR, C-NMR, and ESI-MS. The antifungal activity of the target compounds was preliminarily evaluated by agar dilution method.