Molecular docking based design of Dengue NS5 methyltransferase inhibitors

Mohd Adnan Kausar; Abrar Ali; Samir Qiblawi; Sma Shahid; Mohammad Asrar Izhari; Anamika Saral

doi:10.6026/97320630015394

Molecular docking based design of Dengue NS5 methyltransferase inhibitors

Bioinformation. 2019 May 30;15(6):394-401. doi: 10.6026/97320630015394. eCollection 2019.

Authors

Mohd Adnan Kausar¹, Abrar Ali¹, Samir Qiblawi¹, Sma Shahid¹, Mohammad Asrar Izhari², Anamika Saral³

Affiliations

¹ College of Medicine, University of Hail, Hail, KSA.
² Department of Laboratory Medicine College of Applied Medical Science, Al-Baha University, Saudi Arabia.
³ School of studies in Biotechnology, Jiwaji University, Gwalior, Madhya Pradesh, India.

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.

Keywords: Dengue; IBS; methyltransferase; molecular docking; virtual Screening.