Structural basis of flavonoids as dengue polymerase inhibitors: insights from QSAR and docking studies-Reference-Cited by-同舟云学术

Structural basis of flavonoids as dengue polymerase inhibitors: insights from QSAR and docking studies

Published:2017-12-29 Issue:1 Volume:37 Page:104-115
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Anusuya Shanmugam¹²,Gromiha M. Michael¹³

Affiliation:

1. Department of Biotechnology, Indian Institute of Technology Madras, Bhupat and Jyoti Mehta School of Biosciences, Chennai 600036, Tamil Nadu, India

2. School of Biotechnology, National Institute of Technology Calicut, Kozhikode 673601, Kerala, India

3. Advanced Computational Drug Discovery Unit (ACDD), Institute of Innovative Research, Tokyo Institute of Technology, 4259 Nagatsutacho, Midori-ku, Yokohama 226-8501, Kanagawa, Japan

Funder

Department of Science and Technology, Ministry of Science and Technology

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2017.1419146

Reference41 articles.

1. Alkylated Flavanones from the Bark ofCryptocarya chartaceaAs Dengue Virus NS5 Polymerase Inhibitors

2. Quercetin derivatives as non-nucleoside inhibitors for dengue polymerase: molecular docking, molecular dynamics simulation, and binding free energy calculation

3. Identification of dengue viral RNA-dependent RNA polymerase inhibitor using computational fragment-based approaches and molecular dynamics study

4. Novel 2-phenyl-5-[(E)-2-(thiophen-2-yl)ethenyl]-1,3,4-oxadiazole and 3-phenyl-5-[(E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazole derivatives as dengue virus inhibitors targeting NS5 polymerase

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