Background: Increasing the resistance issue has become the reason for the development
of new antibacterial in crucial condition. Many ways are tracked to determine the most effective
antibacterial agent. Some proteins that are a key role in bacteria metabolism are targeted, including
MurA in cell wall biosynthesis and gelatinase biosynthesis-activating pheromone (GBAP) in Fsr
Quorum Sensing (QS) system.
Objective: The objective of this research is the analysis of compounds 1-4 from M. pendans as
antibacterial and anti-QS activity trough protein inhibition by in silico study; focus on the
structure-activity relationships, to appraise their role as an antibacterial and anti-QS agent in the
Methods: Both activities of M. pendans compounds (1-4) were analyzed by in silico, compared to
Fosfomycin, Ambuic acid, Quercetin, and Taxifolin as a standard. Chemical structures of M.
pendans compounds were converted using an online program molview. The compounds were
docked to MurA, GBAP, gelatinase and serine protease using Autodock Vina in Pyrx 0.8 followed
PYMOL to visualization and proteis.plus program to analyze of the complex.
Results: All compounds from M. pendans bound on MurA, GBAP, gelatinase and serine protease
except compound 2. This biflavonoid did not attach to MurA and serine protease yet is the
favorable ligand for GBAP and gelatinase with the binding affinity of -6.9 and -9.4 Kcal/mol
respectively. Meanwhile, for MurA and serine protease, compound 4 is the highest of bonding
energy with values of -8.7 and -6.4 Kcal/mol before quercetin (MurA, -8.9 Kcal/mol) and taxifolin
(serine protease, -6.6 Kcal/mol).
Conclusion: Based on the data, biflavonoid acts better as anti-QS than an inhibitor of MurA
enzyme while the others can be acted into both of them either the therapeutic agent of anti-QS or
antibacterial agent of MurA inhibitor.