دورية أكاديمية
HSQC-based small molecule accurate recognition technology discovery of diverse cytotoxic sesquiterpenoids from Elephantopus tomentosus L. and structural revision of molephantins A and B.
| العنوان: | HSQC-based small molecule accurate recognition technology discovery of diverse cytotoxic sesquiterpenoids from Elephantopus tomentosus L. and structural revision of molephantins A and B. |
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| المؤلفون: | Bai M; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Xu W; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Zhang X; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Li Q; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Du NN; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Liu DF; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Yao GD; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Lin B; School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Song SJ; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China., Huang XX; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development Liaoning Province, Engineering Research Center of Natural Medicine Active Molecule Research & Development Liaoning Province, Key Laboratory of Natural Bioactive Compounds Discovery & Modification Shenyang, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, 110016, People's Republic of China. Electronic address: xiaoxiao270@163.com. |
| المصدر: | Phytochemistry [Phytochemistry] 2023 Feb; Vol. 206, pp. 113562. Date of Electronic Publication: 2022 Dec 13. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Elsevier Country of Publication: England NLM ID: 0151434 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-3700 (Electronic) Linking ISSN: 00319422 NLM ISO Abbreviation: Phytochemistry Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: 2003- : London : Elsevier Original Publication: 1961-2003: Oxford : Pergamon Press. |
| مواضيع طبية MeSH: | Antineoplastic Agents*/pharmacology , Sesquiterpenes*/chemistry , Asteraceae*/chemistry, Plants ; Molecular Structure |
| مستخلص: | Elephantopus tomentosus L. is a perennial herb taxonomically belonging to the family Asteraceae, which has been used as a folk medicine for the treatment of hepatobiliary diseases. Sesquiterpenoids from this plant have broad biological activities, including anti-tumor, anti-inflammatory, and antibacterial effects. In this study, fifteen structurally diverse sesquiterpenoids comprised 11 germacrane-type and 4 eudesmane-type sesquiterpenoids were prioritized to isolated from Elephantopus tomentosus L. based on the HSQC-based Small Molecule Accurate Recognition Technology (SMART) strategy. Among them, ten sesquiterpenoids were previously unreported, and their structures were elucidated by spectroscopic data, computational methods, single-crystal X-ray diffraction crystallographic data or electronic circular dichroism calculations. In addition, the structures of two known sesquiterpenoids, molephantin A and B, which were reported to possess E-geometry for the Δ 1(10) double bond, were revised by reanalyzing their spectroscopic and X-ray crystallographic data. Some sesquiterpenoids exhibited significant cytotoxic activities against Hep3B and HepG2 cell lines. Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. (Copyright © 2022 Elsevier Ltd. All rights reserved.) |
| فهرسة مساهمة: | Keywords: Asteraceae; Elephantopus tomentosus L.; Sesquiterpenoids; Small molecule accurate recognition technology; Structural revision |
| المشرفين على المادة: | 50656-66-1 (molephantin) 0 (Antineoplastic Agents) 0 (Sesquiterpenes) |
| تواريخ الأحداث: | Date Created: 20221216 Date Completed: 20221228 Latest Revision: 20230103 |
| رمز التحديث: | 20231215 |
| DOI: | 10.1016/j.phytochem.2022.113562 |
| PMID: | 36526100 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1873-3700 |
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| DOI: | 10.1016/j.phytochem.2022.113562 |