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

• المؤلفون الرئيسيون: Mirza, SB, Lee, RCH, Chu, JJH, Salmas, RE, Mavromoustakos, T, Durdagi, S
• مؤلفون آخرون: YONG LOO LIN SCHOOL OF MEDICINE
• التنسيق: مقال
• منشور في: Elsevier BV 2020
• الموضوعات: 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
• الوصول للمادة أونلاين: https://scholarbank.nus.edu.sg/handle/10635/173278

10.1016/j.jmgm.2017.10.010