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A new possible antibacterial compound isolated from Prangos aricakensis, Daucosterol: Antibacterial activity and molecular docking approaches via DD-peptidase and gyrase
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DOI：10.18016/ksutarimdoga.vi.1683529.png)
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Abstract
En 中文
Prangos species have been used for years to treat various ailments due to their chemical components. Eastern T & uuml;rkiye is home to the locally endemic species Prangos aricakensis. This work is the first to isolate the daucosterol molecule from P. aricakensis stems. Daucosterol's structure was ascertained by 1D and 2D NMR analysis. Daucosterol has been studied to have many effects in many areas, such as antibacterial, immune system strengthening, and anti-cancer. Studies have been conducted on the molecule's antibacterial activity in vitro and its predicted molecular docking with antibiotic target proteins in silico. Compared to standard antibiotics, daucosterol had better effects against Bacillus cereus (512 jig/mL) and Listeria monocytogenes (1024 jig/mL). Additionally, daucosterol (512 jig/mL) and amoxicillin (512 jig/mL) demonstrated comparable efficacy against Enterococcus faecalis and Klebsiella pneumoniae. To predict the antibacterial effect of daucosterol in a computer environment, molecular docking interactions of daucosterol with DD-peptidase and gyrase (antibiotic target proteins) were studied and compared with tetracycline as a control antibiotic. Daucosterol and DD-peptidase showed perfect binding affinity, as-9.00, and daucosterol and gyrase had-8.90 kcal/mol. Results showed that the daucosterol molecule interacted with antibiotic target proteins and can be used as an in vitro antibacterial agent.
Keywords:
Prangos aricakensis
& Idot
solation
Daucosterol
DD-peptidase and gyrase
Molecular docking
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