Computational investigation on Andrographis paniculata phytochemicals to evaluate their potency against SARS-CoV-2 in comparison to known antiviral compounds in drug trials

Author:

Murugan Natarajan Arul1,Pandian Chitra Jeyaraj2,Jeyakanthan Jeyaraman3

Affiliation:

1. Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, Stockholm, Sweden

2. Department of Biotechnology, Dr. Umayal Ramanathan College for Women, Karaikudi, India

3. Department of Bioinformatics, Alagappa University, Karaikudi, Tamilnadu, India

Funder

Swedish Infrastructure Committee

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Reference62 articles.

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2. Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

3. Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

4. A phase I trial of andrographolide in HIV positive patients and normal volunteers

5. Case, D., Betz, R., Cerutti, D., Cheatham, T., III, Darden, T., Duke, T., Giese, T., Gohlke, H., Goetz, A., Homeyer, N., Izadi, S., Janowski, P., Kaus, J., Kovalenko, A., Lee, T., LeGrand, S., Li, P., Lin, C., Luchko, T. … Kollman, P. (2016). Amber 16, university of California, San Francisco.

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