CHEMISTRY AND BIODIVERSITY, cilt.1, sa.1, ss.1-26, 2026 (SCI-Expanded, Scopus)
M acroch l oa t enaci ssi ma (S t i pa t enaci ssi ma) is an economically important species, but its
biochemical properties remain underexploited. This study reports the phenolic
composition of M . t enaci ssi ma ethanolic extract (MTEE) and evaluates its antimicrobial
virulence potential. Total phenolic (7.42 ± 0.46 mg GAE/g) and flavonoid (6.49 ± 0.36 mg
QE/g) contents were determined. LC‐ESI‐MS/MS revealed quinic acid (5.699 mg/g), p‐
coumaric acid (0.639 mg/g), protocatechuic acid (0.473 mg/g), protocatechuic aldehyde
(0.319 mg/g), and vanillin (0.354 mg/g) as the most abundant phenolics. Minimal inhibitory
concentration (MIC) against S t a ph yl ococcus aureus , E sch eri ch i a col i , S al monel l a t y ph i ,
P seud omonas aeru gi nosa , C and i d a al b i cans, and C h romob act eri um vi ol aceum indicated S .
aureus and C . al b i cans as the most susceptible, with MICs of 0.312 mg/mL. The MTEE
inhibited violacein production by C . vi ol aceum CV12472, ranging from 50.06% ± 0.55%
(MIC) to 9.06% ± 0.89% (MIC/4), and antiquorum sensing activity (7.0 ± 0.0 mm) against C .
vi ol aceum CV026 at MIC. Antibiofilm activity at MIC was 81.23% ± 1.15% (S . aureus), 80.91%
± 2.37% (C . al b i cans), 75.50% ± 2.68% (E . col i ), and 71.84% ± 1.43% (S . t y ph i ) and decreased
in a concentration‐dependent manner. MTEE inhibited swarming and swimming motilities
against P . aeru gi nosa. Molecular docking experiments indicated favorable interactions,
and the negative binding energies substantiate the in vitro antimicrobial virulence effects
of M . t enaci ssi ma. Further, molecular dynamics simulations (MDs) have been carried out to
investigate the stability of compounds in the binding of the chosen targets. The ADMET
study has been performed to estimate the drug‐likeness and the toxicity of the MTEE
components.