In-Silico Protein-Ligand Docking Studies against the NS5 Methyltransferase Protein of Dengue Virus
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International Journal of Computer Trends and Technology (IJCTT) |  |
| © 2018 by IJCTT Journal | ||
| Volume-62 Number-1 |
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| Year of Publication : 2018 | ||
| Authors : Nidhi Katiyar, Ravindra Nath | ||
| DOI : 10.14445/22312803/IJCTT-V62P103 |
MLA Style: Nidhi Katiyar, Ravindra Nath "In-Silico Protein-Ligand Docking Studies against the NS5 Methyltransferase Protein of Dengue Virus" International Journal of Computer Trends and Technology 62.1 (2018): 21-29.
APA Style:Nidhi Katiyar, Ravindra Nath (2018). In-Silico Protein-Ligand Docking Studies against the NS5 Methyltransferase Protein of Dengue Virus. International Journal of Computer Trends and Technology, 62(1), 21-29.
Abstract
From last few decade dengue viruses is the most significant arthropod-borne human pathogen. We found that the number of cases have been increased and reported in every year. Currently vaccines and drugs against the dengue viruses are available in rare quantity and till now people are depend on the natural drugs that may or may not be beneficiary for the patient. In this study, the problem of designing the drug molecule against the dengue virus has been solved in-silico protein-ligand docking using computational method. We found some potential lead compounds which are active against dengue virus. After the molecular docking we perform the virtual screening and get thousand analogs of lead compounds. The interactions of the analogs with the active site of 1L9K and 1R6A protein were analyzed. On the basis of activity and high binding interactions to find some best compounds which suggested new drug candidate for the future plan.
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Keywords
Methyltransferase (MTase); NS5 (Nonstructural protein); DENV (Dengue virus); RTP (Ribavirin triphosphate); SAH (S-Adenosyl-L-homocysteine); PDB (Protein Data Bank).