ars.els-cdn.com · web viewmanoj k. pandey 1,5, srinivasa r. ramisetti 1, shantu amin 1, and arun...
TRANSCRIPT
![Page 1: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/1.jpg)
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)
S. No. Description Page No.
1 NMR spectral data for compounds 3a, 3b, 3c & 3d
S2-S9
2 NMR spectral data for compounds 4a, 4b, 4c, 4d, 7a & 7b
S10-S21
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.
S22-S22
S1
![Page 2: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/2.jpg)
S2
![Page 3: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/3.jpg)
S3
![Page 4: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/4.jpg)
S4
![Page 5: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/5.jpg)
S5
![Page 6: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/6.jpg)
S6
![Page 7: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/7.jpg)
S7
![Page 8: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/8.jpg)
S8
![Page 9: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/9.jpg)
S9
![Page 10: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/10.jpg)
S10
![Page 11: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/11.jpg)
S11
![Page 12: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/12.jpg)
S12
![Page 13: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/13.jpg)
S13
![Page 14: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/14.jpg)
S14
![Page 15: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/15.jpg)
S15
![Page 16: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/16.jpg)
S16
![Page 17: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/17.jpg)
S17
![Page 18: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/18.jpg)
S18
![Page 19: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/19.jpg)
S19
![Page 20: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/20.jpg)
S20
![Page 21: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/21.jpg)
S21
![Page 22: ars.els-cdn.com · Web viewManoj K. Pandey 1,5, Srinivasa R. Ramisetti 1, Shantu Amin 1, and Arun K. Sharma 1, * 1Department of Pharmacology; Penn State Cancer Institute, CH72; 4Department](https://reader035.vdocument.in/reader035/viewer/2022071114/5fed4898211055232454ae0a/html5/thumbnails/22.jpg)
(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.
S22