Antibacterial potential of Caesalpinia bonducella extracts and their isolated phytoconstituents: in vitro and in silico analysis

ABSTRACT

The antimicrobial activity of Caesalpinia bonducella extracts such as CLC, CLE, CSC, and CSE and thephytoconstituents such as β-Sitosterol (LC3) isolated from CLC and methyl (4E)-5-{2-[(1E)-buta-1,3-dien-1-yl]-4,6-dihydroxyphenyl} pent-4-enoate (SC2) isolated from CSC were evaluated on gram-positive and gram-negativebacteria. The extracts and isolated compounds were found to have moderate-to-significant bacterial inhibition. Thesignificant activity was observed in the inhibition of Pseudomonas aeruginosa by CLC extract (16.10 ± 1.10 mm),whereas the isolated phytocomponent SC2 showed the highest inhibition (16.50 ± 0.58 mm). Further, the isolatedcompounds were subjected to molecular docking studies of the bacterial DNA Gyrase. The in silico study showedthe docking energy of −6.4 and three hydrogen bonding. This in vitro and in silico analysis of extracts and isolatedphytocomponents of C. bonducella helps to understand and evaluate the therapeutic efficacy to cure infectiousdiseases and also supports the traditional medicinal claim as an antibiotic.