Citrinal B, natural 11 beta-hydroxysteroid dehydrogennase type 1 inhibitor identified from structure-based virtual screening

被引：4

作者：

Cao, Jie ^{[1
]}

Gao, Limin ^{[1
]}

Chen, Yizhan ^{[2
]}

Sun, Weiguang ^{[3
]}

Wang, Fuqian ^{[4
]}

Li, Hua ^{[3
]}

Zhang, Yonghui ^{[3
]}

机构：

[1] Huazhong Univ Sci & Technol, Tonsil Med Coll, Union Hosp, Wuhan 430030, Hubei, Peoples R China

[2] Huazhong Univ Sci & Technol, Tonsil Med Coll, Tongji Hosp, Wuhan 430030, Hubei, Peoples R China

[3] Huazhong Univ Sci & Technol, Tonsil Med Coll, Hubei Key Lab Nat Med Chem & Resource Evaluat, Wuhan 430030, Hubei, Peoples R China

[4] Wuhan First Hosp, Dept Pharm, Wuhan 430022, Hubei, Peoples R China

来源：

FITOTERAPIA | 2017年 / 123卷

基金：

中国国家自然科学基金;

关键词：

11; beta-HSD1; inhibitor; Citrinal B; Natural product; Virtual screening; ADIPOSE-TISSUE; 11-BETA-HSD1; EXPRESSION; METABOLISM; OBESITY;

D O I：

10.1016/j.fitote.2017.09.018

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Citrinal B, a tricyclic compound from endophytic fungus Colletotrichum capsici in our previous studies, exhibited significant inhibitory activity against 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) in vitro and showed strong binding affinity to 11 beta-HSD1. Moreover, citrinal B treatments decreased the lipid droplet accumulation associate with the inhibition of 11 beta-HSD1 expression in differentiate induced 3T3-L1 preadipocytes. Furthermore, the molecular docking demonstrated that citrinal B coordinated in the active site of 11 beta-HSD1 is essential for the ability of diminishing the enzyme activity.

引用

页码：29 / 34

页数：6

共 48 条

[31] Structure-based pharmacophore mapping and virtual screening of natural products to identify polypharmacological inhibitor against c-MET/EGFR/VEGFR-2 [J].

Varma, Diksha A. ;

Singh, Mrityunjay ;

Wakode, Sharad ;

Dinesh, N. E. ;

Vinaik, Simran ;

Asthana, Shailendra ;

Tiwari, Manisha .

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 41 (07) :2956-2970

[32] Structure-based virtual screening of new antitumor natural berberines: Bioactivity against pancreas cancer by HIF1 inhibition effect [J].

da Rocha, Matheus Nunes ;

Marinho, Marcia Machado ;

Marinho, Emmanuel Silva ;

dos Santos, Helcio Silva ;

Ildefonso Junior, Jonas ;

Rosas, Janini Filgueira ;

Coutinho, Henrique Douglas Melo .

JOURNAL OF MOLECULAR STRUCTURE, 2023, 1294

[33] Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors [J].

Devi, Bharti ;

Vasishta, Sumukh Satyanarayana ;

Das, Bhanuranjan ;

Baidya, Anurag T. K. ;

Rampa, Rahul Salmon ;

Mahapatra, Manoj Kumar ;

Kumar, Rajnish .

MOLECULAR DIVERSITY, 2024, 28 (02) :649-669

[34] Novel natural scaffold as hURAT1 inhibitor identified by 3D-shape-based, docking-based virtual screening approach and biological evaluation [J].

Chen, Xinhua ;

Zhao, Zean ;

Luo, Jiajun ;

Wu, Ting ;

Shen, Yudong ;

Chang, Shan ;

Wan, Shanhe ;

Li, Zhonghuang ;

Zhang, Jiajie ;

Pang, Jianxin ;

Tian, Yuanxin .

BIOORGANIC CHEMISTRY, 2021, 117

[35] Docking-based virtual screening in search for natural PTP1B inhibitors in treating type-2 diabetes mellitus and obesity [J].

Hsing, Ho Yueng ;

Rathnasamy, Selestin ;

Dianita, Roza ;

Wahab, Habibah A. .

BIOMEDICAL RESEARCH AND THERAPY, 2020, 7 (01) :3579-3592

[36] Known Drugs Identified by Structure-Based Virtual Screening Are Able to Bind Sigma-1 Receptor and Increase Growth of Huntington Disease Patient-Derived Cells [J].

Battista, Theo ;

Pascarella, Gianmarco ;

Staid, David Sasah ;

Colotti, Gianni ;

Rosati, Jessica ;

Fiorillo, Annarita ;

Casamassa, Alessia ;

Vescovi, Angelo Luigi ;

Giabbai, Barbara ;

Semrau, Marta Stefania ;

Fanelli, Sergio ;

Storici, Paola ;

Squitieri, Ferdinando ;

Morea, Veronica ;

Ilari, Andrea .

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, 22 (03) :1-26

[37] Structure-based virtual screening of influenza virus RNA polymerase inhibitors from natural compounds: Molecular dynamics simulation and MM-GBSA calculation [J].

Jin, Zhe ;

Wang, Ying ;

Yu, Xiao-Fei ;

Tan, Qi-Qi ;

Liang, Shi-Shao ;

Li, Tai ;

Zhang, Hong ;

Shaw, Pang-Chui ;

Wang, Jian ;

Hu, Chun .

COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2020, 85 (85)

[38] Discovery of Novel c-Jun N-Terminal Kinase 1 Inhibitors from Natural Products: Integrating Artificial Intelligence with Structure-Based Virtual Screening and Biological Evaluation [J].

Yang, Ruoqi ;

Zhao, Guiping ;

Yan, Bin .

MOLECULES, 2022, 27 (19)

[39] Potential natural products that target the SARS-CoV-2 spike protein identified by structure-based virtual screening, isothermal titration calorimetry and lentivirus particles pseudotyped (Vpp) infection assay [J].

Chen, Guan-Yu ;

Pan, Yi-Cheng ;

Wu, Tung-Ying ;

Yao, Tsung-You ;

Wang, Wei-Jan ;

Shen, Wan-Jou ;

Ahmed, Azaj ;

Chan, Shu-Ting ;

Tang, Chih-Hsin ;

Huang, Wei-Chien ;

Hung, Mien-Chie ;

Yang, Juan-Cheng ;

Wu, Yang-Chang .

JOURNAL OF TRADITIONAL AND COMPLEMENTARY MEDICINE, 2022, 12 (01) :73-89

[40] Rational questing for inhibitors of endothelin converting enzyme-1 from Salvia miltiorrhiza by combining ligand- and structure-based virtual screening [J].

Wang, Xing ;

Xiang, Yuhong ;

Ren, Zhenzhen ;

Zhang, Yanling ;

Qiao, Yanjiang .

CANADIAN JOURNAL OF CHEMISTRY, 2013, 91 (06) :448-456

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