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Synthesis and Biological Activity of New Resveratrol Derivative and Molecular Docking: Dynamics Studies on NFkB |
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| Authors: | Babajan Banaganapalli Chaitanya Mulakayala Gowsia D Naveen Mulakayala Madhusudana Pulaganti Noor Ahmad Shaik Anuradha CM Raja Mohan Rao Jumana Yousuf Al-Aama Suresh Kumar Chitta |
| Institution: | 1. Dept. of Biochemistry, DBT-Bioinformatics Infrastructure Facility, Sri Krishnadevaraya University, Anantapur, 515003, A.P., India 3. Princess Al-Jawhara Al-Brahim Centre of Excellence in Research of Hereditary Disorders (PACER-HD), Faculty of Medicine, King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia 2. Institute of Life Sciences, University of Hyderabad Campus, Gachibowli, Hyderabad, 500046, India 4. Department of Genetic Medicine, Faculty of Medicine, King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia |
| 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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