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Antibacterial Evaluation, In Silico Study and ADMET Properties of Local Lawsonia inermis Leaves Extract.

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Názov: Antibacterial Evaluation, In Silico Study and ADMET Properties of Local Lawsonia inermis Leaves Extract.
Autori: Abdulhussein, Zainab R., Muhammad-Ali, Munther A., Jasim, Ekhlas Q.
Zdroj: Tropical Journal of Natural Product Research; Apr2025, Vol. 9 Issue 4, p1599-1609, 11p
Predmety: ESCHERICHIA coli, TREATMENT effectiveness, URINARY tract infections, HENNA (Plant), PATHOGENIC bacteria, KLEBSIELLA pneumoniae
Abstrakt: Plant extracts are important in the treatment of many bacterial infections, including henna extracts. Pharmacognosy have become an alternative to traditional medications because of a synergistic effect in combating bacterial infections and no multiple side effects. This investigation examined the antibacterial efficacy of Lawsonia inermis acetone extract against bacteria isolated from urinary tract infections (UTIs) and wounds, including Pseudomonas aeruginosa, Staphylococcus aureus, Klebsiella pneumonia, and Escherichia coli. To isolate the pathogenic bacteria (P. aeruginosa, S. aureus, K. pneumonia, and E. coli), clinical pathogenic samples were obtained. Acetone extract of Lawsonia inermis leaves was produced using Soxhlet extraction and the solution of solid extract was investigated by the cork borer technique which gave an inhibitory zone of 18 to 22 mm against the four species of bacteria. 16 phytocompounds (1a-1p) were identified in the extract using gas chromatography-mass spectrophotometry (GC-MS) peak area percentage (10.66-1.72%). The analysis of phytochemicals using molecular docking simulations of their antibacterial potential revealed binding affinities of - 4.38 to - 7.83 kcal/mol, - 4.67 to - 7.47 kcal/mol, - 5.06 to - 9.07 and - 4.41 to - 7.30 kcal/mol against the dihydropteroate synthase and gyrase B 24kDa proteins of E. coli, and TyrRS and gyrase B proteins of S. aureus, respectively. The extract phytochemicals were subjected to physicochemical parameters evaluation: ADMET predictions. Pharmacokinetic prediction indicates fewer adverse effects. The extract has potential antimicrobial activity, with higher levels of clinical safety based on ADMET predictions. [ABSTRACT FROM AUTHOR]
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Databáza: Complementary Index
Popis
Abstrakt:Plant extracts are important in the treatment of many bacterial infections, including henna extracts. Pharmacognosy have become an alternative to traditional medications because of a synergistic effect in combating bacterial infections and no multiple side effects. This investigation examined the antibacterial efficacy of Lawsonia inermis acetone extract against bacteria isolated from urinary tract infections (UTIs) and wounds, including Pseudomonas aeruginosa, Staphylococcus aureus, Klebsiella pneumonia, and Escherichia coli. To isolate the pathogenic bacteria (P. aeruginosa, S. aureus, K. pneumonia, and E. coli), clinical pathogenic samples were obtained. Acetone extract of Lawsonia inermis leaves was produced using Soxhlet extraction and the solution of solid extract was investigated by the cork borer technique which gave an inhibitory zone of 18 to 22 mm against the four species of bacteria. 16 phytocompounds (1a-1p) were identified in the extract using gas chromatography-mass spectrophotometry (GC-MS) peak area percentage (10.66-1.72%). The analysis of phytochemicals using molecular docking simulations of their antibacterial potential revealed binding affinities of - 4.38 to - 7.83 kcal/mol, - 4.67 to - 7.47 kcal/mol, - 5.06 to - 9.07 and - 4.41 to - 7.30 kcal/mol against the dihydropteroate synthase and gyrase B 24kDa proteins of E. coli, and TyrRS and gyrase B proteins of S. aureus, respectively. The extract phytochemicals were subjected to physicochemical parameters evaluation: ADMET predictions. Pharmacokinetic prediction indicates fewer adverse effects. The extract has potential antimicrobial activity, with higher levels of clinical safety based on ADMET predictions. [ABSTRACT FROM AUTHOR]
ISSN:26160684
DOI:10.26538/tjnpr/v9i4.32