Synthesis and Biological Activity of New Resveratrol Derivative and Molecular Docking: Dynamics Studies on NFkB

被引：17

作者：

Banaganapalli, Babajan ^{[1
,3
]}

Mulakayala, Chaitanya ^{[1
]}

D, Gowsia ^{[1
]}

Mulakayala, Naveen ^{[2
]}

Pulaganti, Madhusudana ^{[1
]}

Shaik, Noor Ahmad ^{[3
,4
]}

Anuradha, C. M. ^{[1
]}

Rao, Raja Mohan ^{[2
]}

Al-Aama, Jumana Yousuf ^{[3
,4
]}

Chitta, Suresh Kumar ^{[1
]}

机构：

[1] Sri Krishnadevaraya Univ, Dept Biochem, DBT Bioinformat Infrastruct Facil, Anantapur 515003, Andhra Pradesh, India

[2] Univ Hyderabad Campus, Inst Life Sci, Hyderabad 500046, Andhra Pradesh, India

[3] King Abdulaziz Univ, Fac Med, Princess Al Jawhara Al Brahim Ctr Excellence Res, Jeddah 21413, Saudi Arabia

[4] King Abdulaziz Univ, Fac Med, Dept Med Genet, Jeddah 21413, Saudi Arabia

来源：

APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY | 2013年 / 171卷 / 07期

关键词：

Resveratrol; RVS(a); EMSA; NFkB; Molecular docking; Dynamics simulations; PARTICLE MESH EWALD; KAPPA-B; CANCER CHEMOPREVENTION; CELL-CYCLE; APOPTOSIS; ANALOG; ABSORPTION; SOLUBILITY; METABOLISM; ACTIVATION;

D O I：

10.1007/s12010-013-0448-z

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

070307 [化学生物学]; 071010 [生物化学与分子生物学];

摘要：

Resveratrol (RVS) is a naturally occurring antioxidant, able to display an array of biological activities. In the present investigation, a new derivative of RVS, RVS(a), was synthesized, and its biological activity was determined on U937 cells. It was observed that RVS(a) showed pronounced activity on U937 cells than RVS. RVS(a) is able to induce apoptosis in tumor cell lines through subsequent DNA fragmentation. From the EMSA results, it was evident that RVS(a) was able to suppress the activity of NFkB by interfering its DNA binding ability. Furthermore, the molecular interaction analysis (docking and dynamics) stated that RVS(a) has strong association with the IkB-alpha site of NFkB compared with RVS; this binding nature of RVS(a) might be prevent the NFkB binding ability with DNA. The present findings represent the potential activity of propynyl RVS on U937 cells and signifying it as a one of putative chemotherapeutic drugs against cancer.

引用

页码：1639 / 1657

页数：19

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