Synthesis, evaluation and quantitative structure-activity relationship (QSAR) analysis of Wogonin derivatives as cytotoxic agents. 2017

Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, Nanjing 210009, China.

A novel series of 49 wogonin derivatives were synthesized by introducing group at 7-, 8- or B ring of wogonin. The cytotoxic activities against HepG2, A549 and BCG-823 cancer cell lines were also investigated in vitro. Several of them showed obvious cytotoxic activities and compound 3h possessed the highest potency against HepG2, A549, and BCG-823 with IC50 values of 1.07μM, 1.74μM and 0.98μM, respectively. A quantitative structure-activity relationship (QSAR) study of these synthetic derivatives as well as wogonin indicated that high solubility and low octanol/water partition coefficient are favorable, and excessive electrostatic properties and refractivity are unfavorable for the cytotoxic activities of these wogonin derivatives. These findings and results provide a base for further investigations.

UI MeSH Term Description Entries
D004354 Drug Screening Assays, Antitumor Methods of investigating the effectiveness of anticancer cytotoxic drugs and biologic inhibitors. These include in vitro cell-kill models and cytostatic dye exclusion tests as well as in vivo measurement of tumor growth parameters in laboratory animals. Anticancer Drug Sensitivity Tests,Antitumor Drug Screens,Cancer Drug Tests,Drug Screening Tests, Tumor-Specific,Dye Exclusion Assays, Antitumor,Anti-Cancer Drug Screens,Antitumor Drug Screening Assays,Tumor-Specific Drug Screening Tests,Anti Cancer Drug Screens,Anti-Cancer Drug Screen,Antitumor Drug Screen,Cancer Drug Test,Drug Screen, Anti-Cancer,Drug Screen, Antitumor,Drug Screening Tests, Tumor Specific,Drug Screens, Anti-Cancer,Drug Screens, Antitumor,Drug Test, Cancer,Drug Tests, Cancer,Screen, Anti-Cancer Drug,Screen, Antitumor Drug,Screens, Anti-Cancer Drug,Screens, Antitumor Drug,Test, Cancer Drug,Tests, Cancer Drug,Tumor Specific Drug Screening Tests
D006801 Humans Members of the species Homo sapiens. Homo sapiens,Man (Taxonomy),Human,Man, Modern,Modern Man
D000970 Antineoplastic Agents Substances that inhibit or prevent the proliferation of NEOPLASMS. Anticancer Agent,Antineoplastic,Antineoplastic Agent,Antineoplastic Drug,Antitumor Agent,Antitumor Drug,Cancer Chemotherapy Agent,Cancer Chemotherapy Drug,Anticancer Agents,Antineoplastic Drugs,Antineoplastics,Antitumor Agents,Antitumor Drugs,Cancer Chemotherapy Agents,Cancer Chemotherapy Drugs,Chemotherapeutic Anticancer Agents,Chemotherapeutic Anticancer Drug,Agent, Anticancer,Agent, Antineoplastic,Agent, Antitumor,Agent, Cancer Chemotherapy,Agents, Anticancer,Agents, Antineoplastic,Agents, Antitumor,Agents, Cancer Chemotherapy,Agents, Chemotherapeutic Anticancer,Chemotherapy Agent, Cancer,Chemotherapy Agents, Cancer,Chemotherapy Drug, Cancer,Chemotherapy Drugs, Cancer,Drug, Antineoplastic,Drug, Antitumor,Drug, Cancer Chemotherapy,Drug, Chemotherapeutic Anticancer,Drugs, Antineoplastic,Drugs, Antitumor,Drugs, Cancer Chemotherapy
D044950 Flavanones A group of FLAVONOIDS characterized with a 4-ketone. 2-Phenyl-Benzopyran-4-Ones,2 Phenyl Benzopyran 4 Ones
D045744 Cell Line, Tumor A cell line derived from cultured tumor cells. Tumor Cell Line,Cell Lines, Tumor,Line, Tumor Cell,Lines, Tumor Cell,Tumor Cell Lines
D021281 Quantitative Structure-Activity Relationship A quantitative prediction of the biological, ecotoxicological or pharmaceutical activity of a molecule. It is based upon structure and activity information gathered from a series of similar compounds. Structure Activity Relationship, Quantitative,3D-QSAR,QSAR,QSPR Modeling,Quantitative Structure Property Relationship,3D QSAR,3D-QSARs,Modeling, QSPR,Quantitative Structure Activity Relationship,Quantitative Structure-Activity Relationships,Relationship, Quantitative Structure-Activity,Relationships, Quantitative Structure-Activity,Structure-Activity Relationship, Quantitative,Structure-Activity Relationships, Quantitative

Related Publications

Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
January 2015, Bioorganic & medicinal chemistry letters,
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
April 2010, Bioorganic & medicinal chemistry letters,
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
December 2020, Journal of clinical tuberculosis and other mycobacterial diseases,
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
August 2012, Journal of agricultural and food chemistry,
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
September 2011, Molecules (Basel, Switzerland),
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
May 2013, European journal of medicinal chemistry,
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
March 2009, Journal of medicinal chemistry,
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
June 2013, Journal of agricultural and food chemistry,
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
September 2013, Bioorganic & medicinal chemistry letters,
Jinlei Bian, and Tinghan Li, and Tianwei Weng, and Jubo Wang, and Yu Chen, and Zhiyu Li
May 2009, Bioorganic & medicinal chemistry,
Copied contents to your clipboard!