| Title |
Design, synthesis, and drug-likeness assessment of azole-functionalized hydrazone derivatives: towards antimicrobial activity |
| Authors |
Kiltinavičius, Juozas ; Kantminienė, Kristina ; Jonuškienė, Ilona ; Tumosienė, Ingrida |
| DOI |
10.3390/org7020020 |
| Full Text |
|
| Is Part of |
Organics.. Basel : MDPI. 2026, vol. 7, iss. 2, art. no. 20, p. 1-13.. ISSN 2673-401X |
| Keywords [eng] |
5-oxopyrrolidine ; diphenylamine ; in silico ; Lipinski’s rule of five |
| Abstract [eng] |
Reaction of 5-oxo-1-(4-(phenylamino)phenyl)pyrrolidine-3-carbohydrazide with selected aldehydes and ketone provided novel hydrazone derivatives bearing azole moieties: pyrazole, pyrrole, and indole. The drug likeness of the newly synthesized compounds and their physicochemical characteristics were examined to fit Lipinski’s Rule of Five. N-(2,5-dimethyl-1H-pyrrol-1-yl)-5-oxo-1-(4-(phenylamino)phenyl)pyrrolidine-3-carboxamide (5) exhibited the most favorable overall ADMET profile, combining compliance with key physicochemical requirements for antimicrobial activity with superior solubility and reduced predicted hepatotoxicity and nephrotoxicity. Despite generally elevated plasma protein binding across the series, this compound provided the most advantageous balance between permeability, systemic exposure, and safety. |
| Published |
Basel : MDPI |
| Type |
Journal article |
| Language |
English |
| Publication date |
2026 |
| CC license |
|
