Insights Into Antivirulence Applications of Macrochloa tenacissima (L.) Kunth (Poaceae) From In Vitro and In Silico Assessments


Houam A., Zeghib A., Tamfu A. N., Anouar E. H., Zeghib F., Yilmaz M. A., ...Daha Fazla

CHEMISTRY AND BIODIVERSITY, cilt.1, sa.1, ss.1-26, 2026 (SCI-Expanded, Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1 Sayı: 1
  • Basım Tarihi: 2026
  • Dergi Adı: CHEMISTRY AND BIODIVERSITY
  • Derginin Tarandığı İndeksler: Scopus, Science Citation Index Expanded (SCI-EXPANDED), Chemical Abstracts Core, EMBASE, MEDLINE
  • Sayfa Sayıları: ss.1-26
  • Lokman Hekim Üniversitesi Adresli: Evet

Özet

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. LCESIMS/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 concentrationdependent 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 druglikeness and the toxicity of the MTEE

components.