Investigation of Antimicrobial and Anti-Inflammatory Efficacy of Newly Synthesized Pyrogallol-Coumarin Hybrids: In Vitro and In Silico Studies

The aim of this study is to present the synthesis of two new compounds with promising antimicrobial and anti-inflammatory properties using precursors that contain pyrogallol and coumarin units. The characterization of the obtained compounds ( ) ( )- '-(1-(2,4-dioxochroman-3-ylidene)ethyl)-2,3,4-trihydroxybenzohydrazide ( ) and ( )- '-(1-(2,4-dioxochroman-3-ylidene)ethyl)-3,4,5-trihydroxybenzohydrazide ( ) was performed using various spectroscopic methods in combination with the DFT methods. To evaluate antimicrobial and anti-inflammatory activities, were tested against 13 different types of microorganisms and soybean lipoxygenase. To determine the specific mechanisms of anti-LOX activity, molecular docking and molecular dynamics studies were performed. These compounds had the most potent antibacterial activity against the bacterium ATCC 12453, with a MIC value of 31.125 µg/mL. In addition, three standard bacterial species were chosen to evaluate the antibiofilm activity of tested substances. The results showed that the strongest effect of was noticed on the biofilm formation of ATCC 25923 (BIC at 378 µg/mL). The anti-LOX results indicate that have excellent activity with the IC value for = 38.12 μM and = 34.12 μM. The obtained in vitro and in silico results confirm the strong inhibitory potential of the investigated compounds.