Computational identification of novel SIRT4 inhibitors for diabetic nephropathy using pharmacophore modeling, molecular simulations, and DFT calculations

Open Access

Peer-reviewed

Research Article

About the Authors

Wenxiang He

Contributed equally to this work with: Wenxiang He

Roles Data curation, Methodology, Writing – original draft

Affiliation Department of General Medicine, The Third People’s Hospital of Hubei Province, Wuhan, Hubei province, China,

Jianwu Chen

Roles Supervision, Validation, Writing – review & editing, Methodology

Affiliation Department of Nephrology, The Third People's Hospital of Hubei Province, Wuhan, Hubei province, China

The authors have declared that no competing interests exist.

Drug interactions
Is the Subject Area "Drug interactions" applicable to this article?

Thanks for your feedback.
Hydrogen bonding
Is the Subject Area "Hydrogen bonding" applicable to this article?

Thanks for your feedback.
Molecular dynamics
Is the Subject Area "Molecular dynamics" applicable to this article?

Thanks for your feedback.
Density functional theory
Is the Subject Area "Density functional theory" applicable to this article?

Thanks for your feedback.
Free energy
Is the Subject Area "Free energy" applicable to this article?

Thanks for your feedback.
Mitochondria
Is the Subject Area "Mitochondria" applicable to this article?

Thanks for your feedback.
Toxicity
Is the Subject Area "Toxicity" applicable to this article?

Thanks for your feedback.
Drug screening
Is the Subject Area "Drug screening" applicable to this article?

Thanks for your feedback.