Biological evaluation and molecular docking of some chromenyl derivatives as potential antimicrobial agents

Various thiosemicarbazones [TSCs] and their heterocyclic thiadiazolines [TDZ] possess important biological effects. In addition, chromenyl derivatives exhibit a wide range of pharmacological activities. Based on these findings and as a continuation of our research on nitrogen and sulfur containing compounds, we investigated a series of previously reported chromenyl-TSCs [1a-j] and chromenyl-TDZs [2a-j] for their in vitro antimicrobial activities against two bacterial and four fungal strains. MIC and MBC/MFC [microg/mL] values of these compounds were evaluated and compared to those of Spectinomycin, Moxifloxacin and Fluconazole, used as reference drugs. For a better understanding of the drug-receptor interactions, all the compounds were further subjected to molecular docking against four targets that were chosen based on the specific mechanism of action of the reference drugs used in the antimicrobial screening. All compounds tested showed equal or higher antibacterial/antifungal activities relative to the used reference drugs. In silico studies [molecular docking] revealed that all the investigated compounds showed good binding energies towards four receptor protein targets and supported their antimicrobial properties

Assessment of rosmarinic acid content in six Lamiaceae species extracts and their antioxidant and antimicrobial potential

In the present study, six indigenous species of Lamiaceae family [Origanum vulgare L., Melissa officinalis L., Rosmarinus officinalis L., Ocimum basilicum L., Salvia officinalis L. and Hyssopus officinalis L.], have been analyzed to assess the rosmarinic acid, phenyl propane derivatives and polyphenolic contents and their antioxidant and antimicrobial potential. HPLC-MS method has been used for the analysis ofrosmarinicacid. The phenyl propane derivatives and total phenolic contents were determined using spectrophotometric method. The ethanolic extracts were screened for antioxidant activities by DPPH radical scavenging, HAPX [hemoglobin ascorbate per oxidase activity inhibition], and EPR [electron paramagnetic resonance] methods. The ethanolic extracts revealed the presence of rosmarinic acid in the largest amount in O. vulgare [12.40mg/g] and in the lowest in R. officinalis [1.33 mg/g]. O. vulgare extracts exhibited the highest antioxidant capacity, in line with the rosmarinic acid and polyphenolic contents. The antimicrobial testing showed a significant activity against L. monocytogenes, S. aureus and C. albicans for all six extracts