Docking, Synthesis, Spectral Characterization, and Evaluation of In Vitro Antifungal Activity of Bis/Monophenyl‐1‐aryl‐1H‐tetrazole‐5‐carboxylate

Abstract

Some novel compounds of bis/monophenyl‐1‐aryl‐1H‐tetrazole‐5‐carboxylate were synthesized by the equimolar reaction between bis/mono‐1‐aryl‐1H‐tetrazole and phenyl chloroformate in the presence of NaOH in dry tetrahydrofuran. The content was stirred for 4 h at room temperature. Structures of these synthesized compounds were characterized by IR, 1H‐NMR, 13C‐NMR, and mass spectrometric methods. The in vitro antifungal activity study demonstrates that results of compounds 6g and 6h are excellent, 6e a comparatively good one, and other compounds are moderate. The C docker energy of compounds 6g and 6h were −38.22 and −32.62 kcal/mol and that of compound 6e was −21.26 kcal/mol.

Synthesis, Crystal Structure and Bioactivities of N-(5-(4-chlorobenzyl)-1,3,5-Triazinan-2-Ylidene)Nitramide

“…The in vitro antifungal activities of the Compound 1 were evaluated against six plant fungal pathogens (Rhizoctonia solani, Pythium aphanidermatum, Valsa mali, Botrytis cirerea, Fusarium moniliforme, Alternaria solani). The mycelium growth rate method was used according to references [32,33]. Compound 1 was dissolved in DMSO to prepare the 10 mg/mL stock solution, then mixed with PDA (Potato Dextrose Agar) medium to a concentration of 50 mg/L and was poured into sterilized Petri dishes.…”