DOCKING STUDY OF SELECTED RED VITIS VINIFERA PEEL CONSTITUENTS ON DENGUE VIRAL PROTEINS – AN IN SILICO APPROACH
| Main Author: | Smriti Chawla, Pavithra K., Rituparna Chatterjee, *Balasubramanian Sathyamurthy |
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| Format: | Article |
| Bahasa: | eng |
| Terbitan: |
, 2018
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| Subjects: | |
| Online Access: |
https://zenodo.org/record/1482793 |
Daftar Isi:
- Dengue virus is the most prevalent arthropod-borne virus affecting humans today. The virus group consists of 4 serotypes that manifest with similar symptoms. It has seven major non structural proteins which are considered to be most effective for drug designing in the recent studies. The phytochemicals present in the Vitis vinifera peel extract are reported to have antifungal and anticancerous properties. Our work describes the study of the binding efficiency of the selected 9 compounds that are present in the Vitis vinifera peel with all the seven proteins through in silico methods. By our virtual screening and docking result, we found that the 2R, 3S-9-[1,3,4-Trihydroxy-2-butoxy methyl] guanine has highest binding affinity with the proteins and also we predicted the binding site amino acid residues and the type of hydrogen bonding. Keywords: Dengue virus, Vitis vinfera peel, binding energy, hydrogen bond