Publications

Ms. Ref. No.: MOLSTRUC-D-24-07012. Title: Molecular Insights into Culinary Herb-derived Compounds Targeting BCL2 for Leukemia Treatment. Journal of Molecular Structure

Ms. Ref. No.: PONE-D-25-37887. Title: Uralenol, Glycyrol, and Abyssinone II as potent inhibitors of Fibroblast Growth Factor Receptor 2 from anti-cancer plants: a deep learning and molecular dynamics approach

Ms. Ref. No.: PCS-D-25-03018. Title: Chlorin-Based Chlorophyll c Derivatives as Bioinspired Donor and Sensitizer Materials for Organic and Dye-Sensitized Solar Cells

 2026

1. Hossain A, Hossan MS, Prodhan MS, Joy MNH, Siam MR, Rahman ME, et al. (2026). Uralenol, Glycyrol, and Abyssinone II as potent inhibitors of fibroblast growth factor receptor 2 from anti-cancer plants: A deep learning and molecular dynamics approach. PLoS One 21(1): e0341498. 

2025

1. Rahman, M. E., Hossain, M. S., Ahmed, N., Joti, F. T., Al-Noman, A., Hossain, A., & Matin, M. N. (2025). Chlorin-Based Chlorophyll c Derivatives as Bioinspired Donor and Sensitizer Materials for Organic and Dye-Sensitized Solar Cells. Journal of Physics and Chemistry of Solids, 113391.

2. Hossain, A., Joti, F. T., Hossain, M. S., Al-Noman, A., Thowing, C., Mursona, M., ... & Haque, M. A. (2025). Identification of Potential Inhibitors Targeting Non-Structural Proteins NS3 and NS5 of Dengue Virus Using Docking and Deep Learning Approaches. Pharmaceuticals, 18(4), 566. 

3. Lin, L., Hasan, M. K. E., Gu, X., Khan, S. U., Hossain, A., Faruqe, M. O., ... & Shi, Y. (2025). Human tripartite motif-containing protein 71 NCL-1/HT2A/LIN-41 domain crystal structure and its potential natural inhibitors. International Journal of Biological Macromolecules, 309, 142764.

2024

1. Hossain, A., Rahman, M.E., Faruqe, M.O., Saif, A., Suhi, S., Zaman, R., Hirad, A.H., Matin, M.N., Rabbee, M.F. and Baek, K.H., 2024. Characterization of Plant-Derived Natural Inhibitors of Dipeptidyl Peptidase-4 as Potential Antidiabetic Agents: A Computational Study. Pharmaceutics, 16(4), p.483.

2. Ahmed, M. H., Samia, N. S. N., Singh, G., Gupta, V., Mishal, M. F. M., Hossain, A., ... & Azam, F. (2024). An immuno-informatics approach for annotation of hypothetical proteins and multi-epitope vaccine designed against the Mpox virus. Journal of Biomolecular Structure and Dynamics, 42(10), 5288-5307.

2023

3. Hossain, A., Rahman, M.E., Rahman, M.S., Nasirujjaman, K., Matin, M.N., Faruqe, M.O. and Rabbee, M.F., 2023. Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (Mpro) using molecular docking and deep learning methods. Computers in biology and medicine, 157, p.106785.