TY  - JOUR
T1  - Phytochemicals from Philippine Medicinal Plants as Dual Inhibitors of Acinetobacter baumannii IMP-1 and OXA-24 β-Lactamases
A1  - Michelle Healmer Castro
A1  - Junie Billones
JF  - Journal of Biochemical Technology
JO  - J Biochem Technol
SN  - 0974-2328
Y1  - 2025
VL  - 16
IS  - 1
DO  - 10.51847/JZTeLtrtZf
SP  - 34
EP  - 39
N2  - Acinetobacter baumannii is a gram-negative member of the ESKAPE group of pathogens and is recognized for causing severe hospital-acquired infections that are increasingly difficult to treat. Its carbapenem resistance is primarily driven by the production of β-lactamase enzymes, particularly the metallo-β-lactamase IMP-1 and the class D OXA-24 enzyme, which hydrolyze carbapenem antibiotics, rendering them ineffective. In this study, phytochemicals from ten Philippine-approved medicinal plants were explored as potential inhibitors of these key resistance enzymes. A total of 1,532 compounds were initially screened in ADMETlab 3.0, and twenty-three molecules met both the QED (quantitative estimate of drug-likeness) and ADMET (absorption, distribution, metabolism, excretion, toxicity) criteria. These selected compounds were then subjected to molecular docking using AutoDock 4, and several exhibited stronger binding affinities than the control drug. Among these, Kuguacin P, Negundol 1b, Negundoin E, Negundoin A, and Balsamiferine D emerged as the most promising candidates for further development of novel β-lactamase inhibitors.
UR  - https://jbiochemtech.com/article/phytochemicals-from-philippine-medicinal-plants-as-dual-inhibitors-of-acinetobacter-baumannii-imp-1-qolln5ffcbqzh3e
ER  -