Capsaicinoids from Capsicum annuum as an Alternative FabH Inhibitor of Mycobacterium Tuberculosis: In Silico Study

Authors

Gabriella Chandrakirana Krisnamurti, Biotechnology Program, School of Bioresources and Technology, King Mongkut’s University of Technology Thonburi, Bang Khun Thian 10150, ThailandFollow
Dewi Ratih Tirto Sari, Biology Department, Faculty of Mathematics and Natural Science, Universitas Brawijaya, Malang 65145, Indonesia
Yohanes Bare, Biology Education Study Program, Faculty of Teacher Training and Education, Universitas Nusa Nipa, Sikka 86111, Indonesia

Abstract

The number of tuberculosis (TB) cases worldwide reached 1.5 million in 2018; thus, TB is considered a deadly disease. TB is caused by Mycobacterium tuberculosis and involves lipid synthesis. Considering the importance of lipid metabolism in bacteria, FabH may be an essential protein target for repressing lipid synthesis. Capsaicinoids from Capsicum annuum demonstrate potent antibacterial activity. This study predicted the ability of capsaicinoid compounds to inhibit FabH. In silico analysis was performed by retrieving the structure of FabH from PDB and those of selected capsaicinoid derivatives from PubChem. The compounds were docked using AutoDock Vina in PyRx 0.8 software. The interactions of FabH and different capsaicinoid derivatives showed identical binding characteristics. The bonding type most frequently observed was hydrogen bonds. In conclusion, capsaicinoid derivatives could block lipid synthesis through FabH. The relevant mechanism and biological processes should be studied further.

Recommended Citation

Krisnamurti, Gabriella Chandrakirana; Sari, Dewi Ratih Tirto; and Bare, Yohanes (2021) "Capsaicinoids from Capsicum annuum as an Alternative FabH Inhibitor of Mycobacterium Tuberculosis: In Silico Study," Makara Journal of Science: Vol. 25: Iss. 4, Article 1.
DOI: 10.7454/mss.v25i4.1248
Available at: https://scholarhub.ui.ac.id/science/vol25/iss4/1