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

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

Primary tabs

ArticleView

Abstract

Pharmacognosy Journal,2022,14,6,833-841.

DOI:10.5530/pj.2022.14.176

Published:December 2022

Type:Research Article

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

Anse Diana Valentiene Messah¹, Sawitri Darmiati², Cleopas Marthin Rumende³, Retno Ariza Soemarwoto⁴, Joedo Prihartono⁵, Asmarinah^1,6,*, Fadilah Fadilah^7,*, Aisyah Fitriannisa Prawiningrum⁸

¹Doctoral Program in Biomedical Sciences, Faculty of Medicine University of Indonesia, INDONESIA.

²Department of Radiology, General Hospital Cipto Mangunkusumo, Faculty of Medicine University of Indonesia, INDONESIA.

³Department of Internal Medicine Sciences, pulmonology division, Faculty of Medicine, University of Indonesia, INDONESIA.

⁴Department of Pulmonology, General Hospital Abdoel Moelok, Faculty of Medicine University of Lampung, INDONESIA.

⁵Department of Community Medical Sciences, Faculty University of Indonesia Medicine, INDONESIA.

⁶Departement of Medical Biology, Faculty of Medicine Universitas Indonesia, Jakarta, INDONESIA.

⁷Departement of Medical Chemistry, Faculty of Medicine Universitas Indoensia, Jakarta Indonesia.

⁸Bioinformatics Core Facilities - IMERI, Faculty of Medicine, Universitas Indonesia, Jakarta, INDONESIA.

Abstract:

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.

Keywords:Gene polymorphism, Matrix metalloproteinase 9, Molecular simulation., Multidrug resistant TB

View:

PDF (1.03 MB)

PDF

Images

Graphical Abstract

Cite This Article

Vancouver Style ::

Messah AD, Darmiati S, Rumende CM, Soemarwoto RA, Prihartono J,, et al. Prediction of MMP-9 Polymorphism Impacts on MDR-TB by Molecular Simulation and Network Interaction. Pharmacognosy Journal. 2022;14(6):833-841.

BibTex
XML

PDF (1.03 MB)

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

Primary tabs

ArticleView

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

View:

Cite This Article

About

Submit your Next Article

Submit your next article to Phcog J

Search form

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

Primary tabs

ArticleView

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

View:

Cite This Article