Structure-activity relationships of tanshinones in activating Nrf2. A DFT study and implications for multifunctional antioxidant discovery

Natural Product Communications

Volumn 9, Issue 4, 2014, Pages 453-454

  Sun, You Min ^a   Xiao, Zheng Tao ^b   Zhang, Hong Yu ^b  

^a SHANDONG JIANZHU UNIVERSITY   (China)

^b HUAZHONG AGRICULTURAL UNIVERSITY   (China)

Author keywords

Density functional theory; Electron affinity; Multifunctional antioxidants; Nrf2 activation; Tanshinones

Indexed keywords

ANTIOXIDANT; TANSHINONE; TRANSCRIPTION FACTOR NRF2;

ANTIOXIDANT ACTIVITY; ARTERIAL FILTER; ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; GENE ACTIVATION; STRUCTURE ACTIVITY RELATION;

MODELS, BIOLOGICAL; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUINONES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84898816385     PISSN: 1934578X     EISSN: 15559475     Source Type: Journal    
DOI: 10.1177/1934578x1400900403     Document Type: Article

References (12)

1. (a) Zhang HY. (2005) Structure-activity relationships and rational design strategies for radical-scavenging antioxidants. Current Computer-Aided Drug Design, 1, 257-273;
2. (b) Zhang HY, Yang DP, Tang GY. (2006) Multipotent antioxidants: from screening to design. Drug Discovery Today, 11, 749-754.
3. Williams RJ, Spencer JPE, Rice-Evans C. (2004) Flavonoids: antioxidants or signalling molecules? Free Radical Biology and Medicine, 36, 838-849. (Pubitemid 38352901)
4. Suzuki T, Motohashi H, Yamamoto M. (2013) Toward clinical application of the Keap1-Nrf2 pathway. Trends in Pharmacological Sciences, 34, 340-346.
5. Tao S, Zheng Y, Lau A, Jaramillo MC, Chau BT, Lantz RC, Wong PK, Wondrak GT, Zhang DD. (2013) Tanshinone I activates the Nrf2-dependent antioxidant response and protects against As(III)-induced lung inflammation in vitro and in vivo. Antioxidants & Redox Signaling, 19, 1647-1661.
6. Wang Q, Yu X, Patel K, Hu R, Chuang SSC, Zhang G, Zheng J. (2013) Tanshinones inhibit amyloid aggregation by amyloid-β peptide, disaggregate amyloid fibrils, and protect cultured cells. ACS Chemical Neuroscience, 4, 1004-1015.
7. Kong DX, Li XJ, Zhang HY. (2009) Where is the hope for drug discovery? Let history tell the future. Drug Discovery Today, 14, 115-119.
8. Abiko Y, Miura T, Phuc BH, Shinkai Y, Kumagai Y. (2011) Participation of covalent modification of Keap1 in the activation of Nrf2 by tertbutylbenzoquinone, an electrophilic metabolite of butylated hydroxyanisole. Toxicology and Applied Pharmacology, 255, 32-39.
9. Hansch C, Leo A, Taft RW. (1991) A survey of Hamett substituent constants and resonance and field parameters. Chemical Reviews, 91, 165-195.
10. Bolton JL, Trush MA, Penning TM, Dryhurst G, Monks TJ. (2000) Role of quinones in toxicology. Chemical Research in Toxicology, 13, 135-160. (Pubitemid 30169958)
11. (a) Lee C, Yang W, Parr RG. (1988) Development of the Colle-Salvetti correlation energy formula into a functional of the electron density. Physical Review B, 37, 785-789;
12. (b) Miertuš S, Scrocco E, Tomasi J. (1981) Electrostatic interaction of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects. Chemical Physics, 55, 117-129.