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

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Abstract

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.

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Acknowledgments

This work is majorly supported by the Department of Biotechnology (DBT) Bioinformatics Infrastructure Facility (BIF) (F. No. BT/BI/25/2001/2006). We gratefully acknowledge Dr. Sunil Kumar Manna, Scientist-IV, and Dr. J. Gowrishankar, Director of CDFD, Hyderabad, for providing opportunity to perform in vitro studies of our synthesized compound. The author Dr. B. Babajan (No. F.4-2/2006 (BSR)/13-843/2013 (BSR) thanks UGC’s Dr. D.S. Kothari, Post-doctoral program, for providing financial assistance. P. Madhusdana (Lr. No. 45/20/2011-BMS/BIF) thanks to ICMR for providing financial assistance.

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Correspondence to Suresh Kumar Chitta.

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Supplementary Fig. 1

Schematic of synthesis of RVS derivative (RVS (a)) (JPEG 254 kb)

High resolution image (TIFF 318 kb)

Supplementary Fig. 2

Assigned spectra for RVS (a) 400 MHz 1H spectrum (JPEG 122 kb)

High resolution image (TIFF 116 kb)

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Banaganapalli, B., Mulakayala, C., D, G. et al. Synthesis and Biological Activity of New Resveratrol Derivative and Molecular Docking: Dynamics Studies on NFkB. Appl Biochem Biotechnol 171, 1639–1657 (2013). https://doi.org/10.1007/s12010-013-0448-z

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