1Faculty of Biology, Gadjah Mada University, Yogyakarta, Indonesia
10Institute of Medical Education, Yaroslav-the-Wise Novgorod State University, Velikiy Novgorod, Russian Federation
11Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia
12Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMP-BIOTICS), Universitas Negeri Padang, Padang, Indonesia
2Department of Chemistry, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia
3Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia
4Professor, Nidom Foundation, Surabaya, Indonesia
5Department of Biology, Faculty of Mathematic and Natural Sciences, Universitas Brawijaya, Malang, Indonesia
6Department of Scientific Research, Russian State Agrarian University - Moscow, Timiryazev Agricultural Academy, Moscow, Russian Federation
7Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, Russian Federation
8Department of Scientific Research, K.G. Razumovsky Moscow State University of Technologies and Management (The First Cossack University), Moscow, Russian Federation
9Institute of Veterinary Medicine, South Ural State Agrarian University, Troitsk, Russian Federation
*Corresponding Author E-mail: rahadianzmsiphd@fmipa.unp.ac.id
Online Published on 01 February, 2024.
Temu ireng (C. aeruginosa Roxb.) is a rhizome plant that is well known among Indonesians as a type of herbal plant due to the presence of bioactive compounds with numerous benefits. One of them is to act as an anti-bacterial agent. Tuberculosis is a symptomatic chronic condition triggered by a bacterial infection of the lungs in humans. The goal of this study was to use a bioinformatic technique to identify probable substances from C. aeruginosa Roxb. as a TB drug. C. aeruginosa Roxb. compounds' pharmacokinetics and druglikeness function Antibacterial activity was calculated using SwissADME analysis, antibacterial activity using QSAR analysis, and interaction between compounds and the protein crystal structure of M. tuberculosis using molecular docking interpretation. The 1.8-cineole compound's analytical results reached Lipinski's rule of five and demonstrated great ADMET modeling as a future drug nominee. This is supported by QSAR analysis, which demonstrates that 1.8-cineole can act as an antituberculosic. Besides this, the docking binding energy of 1.8-cineole was -4.20 kcal/mol following the molecular identification, suggesting that the bonds formed were quite constant.
Temu ireng (C. aeruginosa Roxb.), Anti-bacterial, TB drug
