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 mfile:///C:/Users/Amanda/OneDrive/Dokumen/AMANDA/SKRIPSI/DBD/Fix/rolan,+01+Fix+141.pdfethyltransferase 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. Background: The dengue infection is caused by Flavivirus of the family Flaviviridae and it is an arthropod-borne diseases that consolidates four particular serotypes (DEN-1, DEN-2, DEN-3, and DEN-4) [1, 2]. The World Health Organization (WHO) considers dengue as a significant overall general prosperity challenge in the tropic and subtropics nations. Dengue is seen as a result of an unnatural climate change, unconstrained urbanization, inefficient mosquito control, and non appearance of social insurance facilities. [3-5]. Two and a half billion individuals live in dengue-endemic regions [6] and about 400 million contaminations occurring every year, with a death rate out-performing 5-20% in some areas [7]. Dengue disease is seen in excess of 100 nations including Europe and the United States (USA) [2]. The essential and non-fundamental proteins of DENV have been focal point of an antiviral structure. The DENV non-assistant proteins (NS1, NS2A, NS2B, NS3, NS4A, NS4B and NS5) have role in replication and virion assembly [8]. Screening of