Binding roles of major components and new inhibitor from Andrographis paniculata targeting SARS-CoV-2 main protease using molecular dynamics simulations, density functional theory, and in vitro study

Aunlika Chimprasit, Nopawit Khamto, Sathid Aimjongjun, Supa Hannongbua, Patchreenart Saparpakorn

Open source

DOI
10.1016/j.jmgm.2026.109626
Published
2027-01
Container
Journal of Molecular Graphics and Modelling
Publisher
Elsevier BV
Open access
unknown

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BibTeX

@article{allodium:10.1016/j.jmgm.2026.109626,
  title = {Binding roles of major components and new inhibitor from Andrographis paniculata targeting SARS-CoV-2 main protease using molecular dynamics simulations, density functional theory, and in vitro study},
  author = {Aunlika Chimprasit and Nopawit Khamto and Sathid Aimjongjun and Supa Hannongbua and Patchreenart Saparpakorn},
  year = {2027},
  journal = {Journal of Molecular Graphics and Modelling},
  doi = {10.1016/j.jmgm.2026.109626},
  url = {https://doi.org/10.1016/j.jmgm.2026.109626}
}

RIS

TY  - JOUR
TI  - Binding roles of major components and new inhibitor from Andrographis paniculata targeting SARS-CoV-2 main protease using molecular dynamics simulations, density functional theory, and in vitro study
AU  - Aunlika Chimprasit
AU  - Nopawit Khamto
AU  - Sathid Aimjongjun
AU  - Supa Hannongbua
AU  - Patchreenart Saparpakorn
PY  - 2027
JO  - Journal of Molecular Graphics and Modelling
DO  - 10.1016/j.jmgm.2026.109626
UR  - https://doi.org/10.1016/j.jmgm.2026.109626
ER  - 

APA

Chimprasit, A., Khamto, N., Aimjongjun, S., Hannongbua, S., & Saparpakorn, P. (2027). Binding roles of major components and new inhibitor from Andrographis paniculata targeting SARS-CoV-2 main protease using molecular dynamics simulations, density functional theory, and in vitro study. Journal of Molecular Graphics and Modelling. https://doi.org/10.1016/j.jmgm.2026.109626

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