Targeting tryparedoxin-dependent peroxidase (TXNPx) enzyme to identify repurposing drug candidates from FDA-approved drugs and natural products using virtual screening, ADME/Tox and MD simulations

Eman Shorog, Sabina Yasmin, Rani Mansuri, Arpit Raj, Mohammad Ovais Dar, Sumel Ashique, Qazi Mohammad Sajid Jamal, Ali H. Alharbi, Mushtaq Ahmad Wani, Mohammad Yousuf Ansari

Open source

DOI
10.1016/j.bbrep.2025.102096
Published
2025-09
Container
Biochemistry and Biophysics Reports
Publisher
Elsevier BV
Open access
unknown

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BibTeX

@article{allodium:10.1016/j.bbrep.2025.102096,
  title = {Targeting tryparedoxin-dependent peroxidase (TXNPx) enzyme to identify repurposing drug candidates from FDA-approved drugs and natural products using virtual screening, ADME/Tox and MD simulations},
  author = {Eman Shorog and Sabina Yasmin and Rani Mansuri and Arpit Raj and Mohammad Ovais Dar and Sumel Ashique and Qazi Mohammad Sajid Jamal and Ali H. Alharbi and Mushtaq Ahmad Wani and Mohammad Yousuf Ansari},
  year = {2025},
  journal = {Biochemistry and Biophysics Reports},
  doi = {10.1016/j.bbrep.2025.102096},
  url = {https://doi.org/10.1016/j.bbrep.2025.102096}
}

RIS

TY  - JOUR
TI  - Targeting tryparedoxin-dependent peroxidase (TXNPx) enzyme to identify repurposing drug candidates from FDA-approved drugs and natural products using virtual screening, ADME/Tox and MD simulations
AU  - Eman Shorog
AU  - Sabina Yasmin
AU  - Rani Mansuri
AU  - Arpit Raj
AU  - Mohammad Ovais Dar
AU  - Sumel Ashique
AU  - Qazi Mohammad Sajid Jamal
AU  - Ali H. Alharbi
AU  - Mushtaq Ahmad Wani
AU  - Mohammad Yousuf Ansari
PY  - 2025
JO  - Biochemistry and Biophysics Reports
DO  - 10.1016/j.bbrep.2025.102096
UR  - https://doi.org/10.1016/j.bbrep.2025.102096
ER  - 

APA

Shorog, E., Yasmin, S., Mansuri, R., Raj, A., Dar, M. O., Ashique, S., Jamal, Q. M. S., Alharbi, A. H., Wani, M. A., & Ansari, M. Y. (2025). Targeting tryparedoxin-dependent peroxidase (TXNPx) enzyme to identify repurposing drug candidates from FDA-approved drugs and natural products using virtual screening, ADME/Tox and MD simulations. Biochemistry and Biophysics Reports. https://doi.org/10.1016/j.bbrep.2025.102096

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