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Molecular docking based design of Dengue NS5 methyltransferase inhibitors.

ABSTRACT: Dengue is a viral infection caused by RNA infection of the family Flaviviridae and spread by the Aedes mosquitoes. Dengue NS5 methyltransferase is a known drug target for the disease. Therefore, it is of interest to design potential inhibitors for the target using molecular docking analysis. Our analysis shows the binding of compounds STOCK1N-98943, STOCK1N-98872, STOCK1N-98956, STOCK1N-98865, and STOCK1N-98950 with the protein drug target with optimal binding features for further in vitro and in vivo evaluations.

SUBMITTER: Kausar MA

PROVIDER: S-EPMC6614123 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature

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Molecular docking based design of Dengue NS5 methyltransferase inhibitors.

Kausar Mohd Adnan MA Ali Abrar A Qiblawi Samir S Shahid Sma S Izhari Mohammad Asrar MA Saral Anamika A

Bioinformation 20190530 6

Dengue is a viral infection caused by RNA infection of the family Flaviviridae and spread by the Aedes mosquitoes. Dengue NS5 methyltransferase is a known drug target for the disease. Therefore, it is of interest to design potential inhibitors for the target using molecular docking analysis. Our analysis shows the binding of compounds STOCK1N-98943, STOCK1N-98872, STOCK1N-98956, STOCK1N-98865, and STOCK1N-98950 with the protein drug target with optimal binding features for further in vitro and i ...[more]

PMID: 31312076

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