Prediction of MMP-9 Polymorphism Impacts on MDR-TB by Molecular Simulation and Network Interaction

Anse Diana Valentiene Messah, Sawitri Darmiati, Cleopas Marthin Rumende, Retno Ariza Soemarwoto, Joedo Prihartono, Asmarinah, Fadilah Fadilah, Aisyah Fitriannisa Prawiningrum

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1 Citation (Scopus)


MMP-9 overexpression is associated with a poor outcome in MDR-TB patients, indicating that MMP-9 is a suitable target for MDR-TB therapy. MMP-9 also includes SNPs that occur at inhibitor binding areas as well as zinc ions. As a result of polymorphisms, the usage of MMP-9 inhibitors for MDR-TB might vary. Through molecular simulation, it has been found that the mutant MMP-9 has a larger cavity and a more lipophilic surface. The docking tests revealed that EGTA had the least amount of binding energy to both wild-type and mutant MMP-9. The wildtype MMP-9 can bind zinc when EGTA is in the active site. This shows that using EGTA to chelate Zn is only partially successful. However, the binding energy of EGTA at the active site suggests that it may be a competitor to MMP-9 substrates. On the other hand, Zn is not involved in the interaction of the mutant MMP-9-EGTA complex.

Original languageEnglish
Pages (from-to)833-841
Number of pages9
JournalPharmacognosy Journal
Issue number6
Publication statusPublished - Nov 2022


  • Gene polymorphism
  • Matrix metalloproteinase 9
  • Molecular simulation
  • Multidrug resistant TB


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