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A series of linear dipeptide derivatives ( 4 - 10 ) were prepared and evaluated as antimicrobial agents via the synthesis of N -(2-(2-hydrazinyl-2-oxoethylamino)-2-oxoethyl) nicotinamide ( 4 ). Compound 4 was reacted with 4-chlorobenzaldehyde or 4-hydroxybenzaldehyde, to give the hydrazones 5 and 6 , respectively. On the other hand, Compound 4 was coupled with phenylisocyanate or methylisothiocyanate to give Compounds 7 and 8 , respectively. The latter compounds ( 7 and 8 ) were coupled with chloroacetic acid to give oxazolidine ( 9 ) and thiazolidine ( 10 ), respectively. The newly synthesized dipeptide compounds were confirmed by means of their spectral data. The antimicrobial activity of the newly synthesized compounds 4 - 10 was evaluated by agar well diffusion, and they showed good activity. Compounds 4 , 5 , and 9 gave the most promising activity in this study. Most of the tested compounds possessed MIC values ranging from 50 to 500 µg/mL. Furthermore, docking studies were carried out on enoyl reductase from E. coli and cytochrome P450 14 α-sterol demethylase (Cyp51) from Candida albicans active sites. The MolDock scores of the seven tested compounds ranged between -117 and -171 and between -107 and -179, respectively.

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Synthesis, Molecular Docking Studies, In Vitro Antimicrobial and Antifungal Activities of Novel Dipeptide Derivatives Based on N-(2-(2-Hydrazinyl-2-oxoethylamino)-2-oxoethyl)-Nicotinamide