Multidirectional in silico and in vitro Research for the Pharmaceutical Potential of Fibigia Clypeata (L.) Medik: Phytochemical, Antimicrobial, and Antimyeloma Properties.

Abstract

Fibigia clypeata (L.) Medik, a member of the Brassicaceae, has been the subject of limited research on its pharmaceutical and medicinal properties. This study aims to evaluate the phytochemical, antimicrobial, and antimyeloma properties of F. clypeata extracts and detail these results in silico analyses. The minimum inhibitory concentration (MIC) of F. clypeata extracts was determined using dilution methods, and antimyeloma activity was determined using an MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide) assay. The findings were evaluated by in silico analyses and correlated with the results of liquid chromatography-high-resolution mass spectrometry. The inhibitory effect of the water extract (MIC is 15 mg mL^-1 against bacterial strains; MICs are between 7.5 and 3.75 mg mL^-1 against Candida strains) was determined to be more potent than methanol extract (MIC is 60 mg mL^-1 against bacterial strains; MICs are between 30 mg/mL and 7.50 mg mL^-1 against Candida strains). Molecular docking findings revealed that cyanidin 3-rutinoside chloride showed the highest binding affinity to Staphylococcus aureus MurB, Candida parapsilosis, and Candida albicans dihydrofolate reductases and the antitumor target human epidermal growth factor receptor protein. Based on MTT results, F. clypeata extracts significantly decreased cell viability dose-dependently in three human MM and noncancerous MCF10A cell lines. F. clypeata harbor valuable antimicrobial and moderately anticancerogenic compounds.