فهرست نشریات علمی دسترسی آزاد ایران

A series of benzothiazole based triazole derivatives ( 7a-o ) was designed and synthesized via click chemistry. The newly synthesized molecules were elucidated by various spectral analyses, such as 1 H-NMR, 13 C-NMR, Mass, IR, and elemental composition. Based on the therapeutic importance of benzothiazole and triazole the newly synthesized molecules (7a-o) were evaluated for antibacterial activity against the bacterial strains (Gram-negative: P. Aeruginosa , K. Aerogenes , and C. Violaceum and Gram-positive: B. Subtilis , B. Sphaericus , and S. Aureus ), compound 7g exhibit maximum zone of inhibition compared to standard drug Streptomycin. This study evaluates the antifungal activity of derivatives ( 7a-o ) against four fungal strains: C. albicans, A. fumigatus, T. rubrum , and T. Mentagrophytes, compound 7m shows the maximum zone of inhibition compared to the standard drug Amphotericin B . Furthermore, in vitro anticancer assays were conducted using three human cancer cell lines: MCF-7 (Breast cancer), PC-3 (Prostate cancer), and HeLa (Cervical cancer). Among all the synthesized compounds, 7m showed significant anticancer activity with IC 50 value of 2.32±0.03 µM against MCF-7, 3.57±0.05 µM against PC-3 and 2.93±0.05 µM against Hela cancer cell lines. Molecular docking studies of newly synthesized compounds (7a-o) against the Human Myosin 9b protein (PDB ID: 5C5S), associated with fast lung cancer progression, revealed that all compounds exhibits better binding energies than Doxorubicin. Notably, compounds 7a and 7d achieved high negative binding energies of -8.2 kcal/mol.