Electronic Theses and Dissertation

Chromolaena odorata mengandung berbagai senyawa metabolit sekunder yang berpotensi sebagai agen antibakteri dengan mekanisme menghambat sintesis protein, asam nukleat, serta metabolit penting pada bakteri. Bakteri Filifactor alocis, Aggregatibacter actinomycetemcomitans, dan Fusobacterium nucleatum merupakan patogen yang berperan dalam terjadinya periodontitis. Penelitian ini bertujuan untuk mengevaluasi potensi senyawa metabolit sekunder C. odorata sebagai agen antibakteri terhadap bakteri penyebab periodontitis melalui pendekatan in silico menggunakan metode molecular docking. Reseptor yang digunakan meliputi PrtFAC dan MSCRAMMs pada F. alocis; EmaA dan Omp100 pada A. actinomycetemcomitans; serta FadA dan RadD pada F. nucleatum. Lima senyawa metabolit C. odorata yang diuji adalah 1(2H)-naphthalenone, octahydro-, methyl palmitate, linoleic acid, methyl oleate, dan methyl stearate. Hasil docking menunjukkan bahwa setiap senyawa memiliki kemampuan perlekatan (binding affinity) yang bervariasi terhadap masing-masing reseptor. Senyawa 1(2H)-naphthalenone, octahydro- menunjukkan nilai binding affinity terbaik sebesar −6,64 kcal/mol dan −6,29 kcal/mol terhadap reseptor PrtFAC dan MSCRAMMs, −6,16 kcal/mol terhadap EmaA, serta −8,50 kcal/mol terhadap RadD. Adapun linoleic acid menunjukkan nilai binding affinity sebesar −5,01 kcal/mol terhadap Omp100 dan −4,39 kcal/mol terhadap FadA. Berdasarkan hasil tersebut, dapat disimpulkan bahwa senyawa metabolit sekunder C. odorata memiliki potensi antibakteri, namun efektivitasnya masih terbatas dalam menghambat protein adhesi bakteri penyebab periodontitis.
Kata kunci: C. odorata, Periodontitis, Filifactor alocis, Aggregatibacter actinomycetemcomitans, Fusobacterium nucleatum, Molecular Docking, Binding Affinity

Chromolaena odorata contains various secondary metabolite compounds that have the potential to act as antibacterial agents by inhibiting protein synthesis, nucleic acids, and essential metabolites in bacteria. The bacteria Filifactor alocis, Aggregatibacter actinomycetemcomitans, and Fusobacterium nucleatum are pathogens that play a role in the development of periodontitis. This research aims to evaluate the potential of C. odorata secondary metabolite compounds as antibacterial agents against periodontitis-causing bacteria through an in silico approach using the molecular docking method. The receptors used include PrtFAC and MSCRAMMs on F. alocis; EmaA and Omp100 on A. actinomycetemcomitans; and FadA and RadD on F. nucleatum. The five C. odorata metabolite compounds tested were 1(2H)-naphthalenone, octahydro-, methyl palmitate, linoleic acid, methyl oleate, and methyl stearate. The docking results show that each compound has varying binding affinities toward each receptor. Compound 1(2H)-naphthalenone, octahydro-, exhibits the best binding affinity values of −6.64 kcal/mol and −6.29 kcal/mol against PrtFAC and MSCRAMMs receptors, −6.16 kcal/mol against EmaA, and −8.50 kcal/mol against RadD. Linoleic acid, on the other hand, shows binding affinity values of −5.01 kcal/mol against Omp100 and −4.39 kcal/mol against FadA. Based on these results, it can be concluded that the secondary metabolite compounds of C. odorata have antibacterial potential, but their effectiveness in inhibiting bacterial adhesion proteins that cause periodontitis is still limited. Keywords: C. odorata, Periodontitics, Filifactor alocis, Aggregatibacter actinomycetemcomitans, Fusobacterium nucleatum, Molecular Docking, Binding Affinity