Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.

Ja'afaru SC, Uzairu A, Hossain S, Ullah MH, Sallau MS, Ndukwe GI, Ibrahim MT, Bayil I, Moin AT

Open source

DOI
10.1371/journal.pntd.0012453
Published
2024 Sep
Container
PLoS neglected tropical diseases
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.1371/journal.pntd.0012453,
  title = {Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.},
  author = {Ja'afaru SC and Uzairu A and Hossain S and Ullah MH and Sallau MS and Ndukwe GI and Ibrahim MT and Bayil I and Moin AT},
  year = {2024},
  journal = {PLoS neglected tropical diseases},
  doi = {10.1371/journal.pntd.0012453},
  url = {https://doi.org/10.1371/journal.pntd.0012453}
}

RIS

TY  - JOUR
TI  - Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.
AU  - Ja'afaru SC
AU  - Uzairu A
AU  - Hossain S
AU  - Ullah MH
AU  - Sallau MS
AU  - Ndukwe GI
AU  - Ibrahim MT
AU  - Bayil I
AU  - Moin AT
PY  - 2024
JO  - PLoS neglected tropical diseases
DO  - 10.1371/journal.pntd.0012453
UR  - https://doi.org/10.1371/journal.pntd.0012453
ER  - 

APA

SC, J., A, U., S, H., MH, U., MS, S., GI, N., MT, I., I, B., & AT, M. (2024). Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.. PLoS neglected tropical diseases. https://doi.org/10.1371/journal.pntd.0012453

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