Design and Evaluation of Indole-Based Schiff Bases as α-Glucosidase Inhibitors: CNN-Enhanced Docking, MD Simulations, ADMET Profiling, and SAR Analysis

Seema K. Bhagwat, Sachin V. Patil, Abraham Vidal-Limon, J. Oscar C. Jimenez-Halla, Balasaheb K. Ghotekar, Vivek D. Bobade, Irving David Pérez-Landa, Enrique Delgado-Alvarado, Fabiola Hernández-Rosas, Tushar Janardan Pawar

Open source

DOI
10.3390/molecules30173651
Published
2025-09-08
Container
Molecules
Publisher
MDPI AG
Open access
unknown

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BibTeX

@article{allodium:10.3390/molecules30173651,
  title = {Design and Evaluation of Indole-Based Schiff Bases as α-Glucosidase Inhibitors: CNN-Enhanced Docking, MD Simulations, ADMET Profiling, and SAR Analysis},
  author = {Seema K. Bhagwat and Sachin V. Patil and Abraham Vidal-Limon and J. Oscar C. Jimenez-Halla and Balasaheb K. Ghotekar and Vivek D. Bobade and Irving David Pérez-Landa and Enrique Delgado-Alvarado and Fabiola Hernández-Rosas and Tushar Janardan Pawar},
  year = {2025},
  journal = {Molecules},
  doi = {10.3390/molecules30173651},
  url = {https://doi.org/10.3390/molecules30173651}
}

RIS

TY  - JOUR
TI  - Design and Evaluation of Indole-Based Schiff Bases as α-Glucosidase Inhibitors: CNN-Enhanced Docking, MD Simulations, ADMET Profiling, and SAR Analysis
AU  - Seema K. Bhagwat
AU  - Sachin V. Patil
AU  - Abraham Vidal-Limon
AU  - J. Oscar C. Jimenez-Halla
AU  - Balasaheb K. Ghotekar
AU  - Vivek D. Bobade
AU  - Irving David Pérez-Landa
AU  - Enrique Delgado-Alvarado
AU  - Fabiola Hernández-Rosas
AU  - Tushar Janardan Pawar
PY  - 2025
JO  - Molecules
DO  - 10.3390/molecules30173651
UR  - https://doi.org/10.3390/molecules30173651
ER  - 

APA

Bhagwat, S. K., Patil, S. V., Vidal-Limon, A., Jimenez-Halla, J. O. C., Ghotekar, B. K., Bobade, V. D., Pérez-Landa, I. D., Delgado-Alvarado, E., Hernández-Rosas, F., & Pawar, T. J. (2025). Design and Evaluation of Indole-Based Schiff Bases as α-Glucosidase Inhibitors: CNN-Enhanced Docking, MD Simulations, ADMET Profiling, and SAR Analysis. Molecules. https://doi.org/10.3390/molecules30173651

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