Molecular docking models
Molecular docking models
Molecular docking models
Protein
Reference
Anthelmintic property
(a) Tubulin alpha-1B chain
(b) b-tubulin (1OJ0)
(c) TUBULIN-COLCHICINE enzymes (1SAO)
(d) Acetylcholine-binding protein (AChBP) (2ZJU)
(a)
Kołodziej, P., Wujec, M., Doligalska, M., Makuch-Kocka, A., Khylyuk, D., Bogucki, J., ... & Bogucka-Kocka, A. (2024). Synthesis and anthelmintic activity of novel thiosemicarbazide and 1, 2, 4-triazole derivatives: in vitro, in vivo, and in silico study. Journal of Advanced Research, 60, 57-73.
(b)
Satyendra, R. V., Vishnumurthy, K. A., Vagdevi, H. M., Rajesh, K. P., Manjunatha, H., & Shruthi, A. (2011). Synthesis, in vitro antioxidant, anthelmintic and molecular docking studies of novel dichloro substituted benzoxazole-triazolo-thione derivatives. European journal of medicinal chemistry, 46(7), 3078-3084.
Jones, B. P., van Vliet, A. H., LaCourse, E. J., & Betson, M. (2022). In silico docking of nematode β-tubulins with benzimidazoles points to gene expression and orthologue variation as factors in anthelmintic resistance. Frontiers in tropical diseases, 3, 898814.
Basumatary, G., Dhar, E. D., Das, D., Deka, R. C., Yadav, A. K., & Bez, G. (2020). Coumarin-based trisubstituted methanes as potent anthelmintic: synthesis, molecular docking and in vitro efficacy. Journal of Chemical Sciences, 132, 1-12.
(c)
Paul, A., Das, T., Chowdhury, M. H. U., Majumder, M., Khan, M. M., & Emran, T. B. (2024). Anthelmintic Activity of Pineapple: In Silico Molecular docking and Molecular Dynamics Simulation.
Paul, A., Adnan, M., Majumder, M., Kar, N., Meem, M., Rahman, M. S., ... & Kabir, M. S. H. (2018). Anthelmintic activity of Piper sylvaticum Roxb.(family: Piperaceae): In vitro and in silico studies. Clinical Phytoscience, 4, 1-7.
(d)
Sattu, H., Sayeda Hinanaaz, S., Navneetha, O. (2023). Synthesis, characterization, molecular docking studies and anthelmintic and anti-cancer activity of Pyrazole contain novel indolin-2-one derivatives.International Journal of Pharmaceutical Sciences and Research. 19, 3404-3413. DOI: 10.13040/IJPSR.0975-8232.14(7).3404-13