Design, synthesis and in silico docking techniques of new 1, 2, 3-triazolylpyrrolidines bearing chalcone derivatives: Discovery of potent antitubercular agents

1 1 2024

Authors: Veera Sankara Pavan Kumar Gudapati, Durga Venkata Phani Kumar Gudapati, Tejeswara Rao Allaka, Naresh Kumar Katari, Mutyalanaidu Ganivada, Sudhakar Reddy Baddam, Sunder Kumar Kolli

Compounds with a pyrrolidine scaffold play an important role in organic synthesis and especially in the synthesis of bioactive organic compounds, therefore, the development of new methods for modifying this scaffold is a very interesting framework of this study. We developed a rational approach for the synthesis of 1,2,3-trazolylchalcone substituted pyrrolidines derivatives, which were then examined using a variety of spectroscopic techniques such as 1H NMR, 13C NMR, FT-IR, mass spectroscopy and elemental analysis. Biological profiles showed that compounds 5e, 5h had better antibacterial inhibitory potency against S. aureus, E. coli with zone of inhibition 34 ± 0.1, 33 ± 0.3 mm, whereas 5a, 5e showed potent antifungal activity against C. parapsilosis, A. flavus with dimeter zone of inhibition 26 ± 0.2, and 30 ± 0.2 mm respectively. Among the tested compounds 5b, and 5h were the most potent antitubercular …