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

• Main Authors: Mirza, SB, Lee, RCH, Chu, JJH, Salmas, RE, Mavromoustakos, T, Durdagi, S
• 其他作者: YONG LOO LIN SCHOOL OF MEDICINE
• 格式: Article
• 出版: Elsevier BV 2020
• 主題: 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
• 在線閱讀: https://scholarbank.nus.edu.sg/handle/10635/173278

10.1016/j.jmgm.2017.10.010