ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun...
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Supplementary Material
Design, synthesis, and identification of a novel napthalamide-isoselenocyanate compound NISC-6 as a dual Topoisomerase-IIα and Akt pathway inhibitor, and evaluation of its anti-melanoma activityDeepkamal N. Karelia1, Ugir Hossain Sk2, Parvesh Singh3, A. S. Prakasha Gowda4, Manoj K. Pandey1,5, Srinivasa R. Ramisetti1, Shantu Amin1, and Arun K. Sharma1,*
1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department of Biochemistry and Molecular Biology, Penn State College of Medicine, 500 University Drive, Hershey, PA 17033, USA.
2CSIR-Institute of Himalayan Bioresource Technology, Palampur, HP, India3School of Chemistry and Physics, University of Kwa-Zulu Natal (UKZN), Westville campus, Durban 4000, South Africa5Department of Biomedical Sciences, Cooper Medical School of Rowan University, 401 S Broadway, Camden, NJ 08103 (current address)
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1 NMR spectral data for compounds 3a, 3b, 3c & 3d
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2 NMR spectral data for compounds 4a, 4b, 4c, 4d, 7a & 7b
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3 Figure S1: (a) Overlay of the poses of co-crystallized ligand (etoposide) present docking simualtion for Akt1. (b) Overlay of the poses of co-crystallized ligand (EVP1) and present docking simulation for topo-II.
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(a) (b)
Figure S1: (a) Overlay of the poses of co-crystallized ligand (etoposide) obtained from the crystal structure (in red) and present docking simualtion (in blue) for Akt1. (b) Overlay of the poses of co-crystallized ligand (EVP1) obtained from the crystal structure (in red) and present docking simulation (in blue) for topo-II.
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