Screening of Compounds in Temu Ireng (Curcuma aeruginosa Roxb.) as Tuberculosis drug using Bioinformatics Design

Wahyuningsih, Sri and Dibha, Alyaa F. and Kharisma, Viol D. and Murtadlo, Affan A. and Ansori, A.N.M. and Widyananda, Muhammad H. and Rebezov, Maksim and Burkov, Pavel and Derkho, Marina and Scherbakov, Pavel and Maksimiuk, Nikolai and Miftakhutdinov, Alevtin and Zainul, Rahadian (2023) Screening of Compounds in Temu Ireng (Curcuma aeruginosa Roxb.) as Tuberculosis drug using Bioinformatics Design. Research Journal of Pharmacy and Technology, 16 (10). 4875 – 4880. ISSN 09743618

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Abstract

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. © RJPT All right reserved.

Item Type: Article
Additional Information: Library Dosen
Uncontrolled Keywords: antiinfective agent; camphor; cineole; Curcuma aeruginosa extract; curdione; curzerenone; germacrone; plant extract; plant medicinal product; rifampicin; tuberculostatic agent; unclassified drug; antibacterial activity; Article; bioinformatics; computer model; controlled study; crystal structure; Curcuma aeruginosa; drug design; drug screening; molecular docking; Mycobacterium tuberculosis; nonhuman; pharmacokinetics; quantitative structure activity relation; tuberculosis
Subjects: Biology
Divisions: Faculty of Biology > Master Program in Biology
Depositing User: Sri JUNANDI
Date Deposited: 31 Oct 2024 01:25
Last Modified: 31 Oct 2024 01:25
URI: https://ir.lib.ugm.ac.id/id/eprint/6029

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