Sesquiterpenoids isolated from the rhizome of <i>Curcuma phaeocaulis</i> Valeton: antitumor activity, <i>in silico</i> molecular docking and molecular dynamics study

zhong, xiangjian; Yan, Xin; Liu, Weirui; Tian, Ye; Song, Ruolan; dong, ying; Ren, Xueyang; Zheng, Yi; Shan, Dongjie; Lv, Fang; Li, Xianxian; Deng, Qingyue; He, Yingyu; Yuan, Rongfang; She, Gaimei

doi:10.1039/d2nj06011f

New J. Chem.

2023

DOI: 10.1039/d2nj06011f

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Sesquiterpenoids isolated from the rhizome of Curcuma phaeocaulis Valeton: antitumor activity, in silico molecular docking and molecular dynamics study

xiangjian zhong

Xin Yan

Weirui Liu

et al.

Abstract: Three undescribed sesquiterpenoids, phaeocaulisguatriol (1) and phaeocaulistriol A-B (19, 20), along with twenty known sesquiterpenoids were isolated from chloroform-soluble extract of Curcuma phaeocaulis Valeton rhizome. Their structures were established through...

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Cited by 2 publications

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Discovery of hepatoprotective activity components from Thymus quinquecostatus celak. by molecular networking, biological evaluation and molecular dynamics studies

Zhong,

Song,

Shan

et al. 2023

Bioorganic Chemistry

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Discovery of hepatoprotective activity components from Thymus quinquecostatus celak. by molecular networking, biological evaluation and molecular dynamics studies

Zhong,

Song,

Shan

et al. 2023

Bioorganic Chemistry

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Research Progress on Sesquiterpenoids of Curcumae Rhizoma and Their Pharmacological Effects

Cui,

Li,

Liu

et al. 2024

Biomolecules

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Curcumae Rhizoma, a traditional Chinese medicine with a wide range of pharmacological activities, is obtained from the dried rhizomes of Curcuma phaeocaulis VaL., Curcuma kwangsiensis S. G. Lee et C. F. Liang, and Curcuma wenyujin Y. H. Chen et C. Ling. Sesquiterpenoids and curcuminoids are found to be the main constituents of Curcumae Rhizoma. Sesquiterpenoids are composed of three isoprene units and are susceptible to complex transformations, such as cyclization, rearrangement, and oxidation. They are the most structurally diverse class of plant-based natural products with a wide range of biological activities and are widely found in nature. In recent years, scholars have conducted abundant studies on the structures and pharmacological properties of components of Curcumae Rhizoma. This article elucidates the chemical structures, medicinal properties, and biological properties of the sesquiterpenoids (a total of 274 compounds) isolated from Curcumae Rhizoma. We summarized extraction and isolation methods for sesquiterpenoids, established a chemical component library of sesquiterpenoids in Curcumae Rhizoma, and analyzed structural variances among sesquiterpenoids sourced from Curcumae Rhizoma of diverse botanical origins. Furthermore, our investigation reveals a diverse array of sesquiterpenoid types, encompassing guaiane-type, germacrane-type, eudesmane-type, elemane-type, cadinane-type, carane-type, bisabolane-type, humulane-type, and other types, emphasizing the relationship between structural diversity and activity. We hope to provide a valuable reference for further research and exploitation and pave the way for the development of new drugs derived from medicinal plants.

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Sesquiterpenoids isolated from the rhizome of Curcuma phaeocaulis Valeton: antitumor activity, in silico molecular docking and molecular dynamics study

Abstract: Three undescribed sesquiterpenoids, phaeocaulisguatriol (1) and phaeocaulistriol A-B (19, 20), along with twenty known sesquiterpenoids were isolated from chloroform-soluble extract of Curcuma phaeocaulis Valeton rhizome. Their structures were established through...

Cited by 2 publications

References 39 publications

Discovery of hepatoprotective activity components from Thymus quinquecostatus celak. by molecular networking, biological evaluation and molecular dynamics studies

Discovery of hepatoprotective activity components from Thymus quinquecostatus celak. by molecular networking, biological evaluation and molecular dynamics studies

Research Progress on Sesquiterpenoids of Curcumae Rhizoma and Their Pharmacological Effects

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