Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studies

Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studies

10.1016/j.jmgm.2017.10.010

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Bibliographic Details
Main Authors:	Mirza, SB, Lee, RCH, Chu, JJH, Salmas, RE, Mavromoustakos, T, Durdagi, S
Other Authors:	YONG LOO LIN SCHOOL OF MEDICINE
Format:	Article
Published:	Elsevier BV 2020
Subjects:	Anti-dengue drugs Cell proliferation Cytotoxicity tests DENV2 NGC strain Dengue Molecular dynamics Antiviral Agents Dengue Virus Drug Design Drug Discovery Drug Evaluation, Preclinical Humans Hydrogen Bonding Molecular Conformation Molecular Docking Simulation Molecular Dynamics Simulation Quantitative Structure-Activity Relationship Small Molecule Libraries Viral Nonstructural Proteins
Online Access:	https://scholarbank.nus.edu.sg/handle/10635/173278
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Institution:	National University of Singapore

Description
Summary:	10.1016/j.jmgm.2017.10.010