In Silico Analysis of Damar wangi (Aghatis damara) Compounds as Potential Anti-Urinary Tract Infection Agents Through Molecular Docking Approach

Urinary Tract Infections (UTIs) are a glogal healt problem primarily caused by the bacterium Escherichia coli. Increasing bacterial resistance to conventional antibiotics has prompted the search for new antibacterial agents derived from natural sources, one of wich is the Damar Wangi plant (Agathis dammara). This study aimed to evaluate the potential of bioactive compounds from Agathis dammara as inhibitors of the bacterial Dihydrofolate Reductase (DHFR) enzyme through in silico studies. Molecular docking was performed using the E. coli DHFR protein target receptor (PDB ID: 3SRW), the primary target of antifolate antibiotics. The standard antibiotic Trimethoprim was used as a positive control (comparison) The results of molecular docking showed that the compounds Dammarid acid B, Dammarid acid C, Dammaric Acid F, Dammaric acid E. Interaction visualization analysis showed the formation of hydrogen bonds at the important amino acid residues of NAP on the active site of the DHFR enzyme. It can be concluded that the bioactive compounds from Agathis dammara have potential as new anti-UTI drug candidates through the mechanism of inhibition of the DHFR enzyme, but further studies in vitro and in vivo are needed to validate these findings.