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

Internet

https://scholarbank.nus.edu.sg/handle/10635/173278

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