Phytochemical and Biological Evaluation of Cyanus celikhanensis Extract: An in Silico and in Vitro Approach

Abstract

Herbal products are valuable biological resources of bioactive compounds expressed as secondary metabolites. This study aimed to explore the potential biological properties and phenolic content of Cyanus celikhanensis Kaya et al. extract, which has no data on pharmacological properties. A quantitative phytochemical analysis of C. celikhanensis was performed using a triple quadrupole LC/MS system. In vitro pharmacological tests, which included antioxidant, antimicrobial, antiproliferative, and 10 medicinal enzyme inhibition, were accompanied by in silico studies. The extract of C. celikhanensis exhibited promising inhibitory effect against HMG-CoA reductase (IC50: 0.724 mu g mL-1), alpha-glucosidase (IC50: 68 mu g mL-1), and alpha-amylase (IC50: 114 mu g mL-1) enzymes. The extract presented a cytotoxic effect (130.4 mu g mL-1), antibacterial potency against Enterococcus faecalis (591.2 +/- 2.7 mu g mL-1), and ABTS scavenging activity (12.32 mu g mL-1) closer to that of BHT (8.12 +/- 0.096 mu g mL-1). The quantitative phytochemical analysis revealed that the major compounds were keracyanin chloride (72.56 mu g mL-1) and quinic acid (12.54 mu g mL-1). The molecular insertion studies showed that the major compound has low binding energy, and the biological capacity of the plant extract might be attributable to its leading compounds, especially keracyanin. According to the first comprehensive in vitro and in silico analysis, the study data show that C. celikhanensis has potential biological activities.