Screening of Compounds in Temu Ireng (Curcuma aeruginosa Roxb.) as Tuberculosis drug using Bioinformatics Design-Reference-Cited by-同舟云学术

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

Published:2023-10-31 Issue: Volume: Page:4875-4880
ISSN:0974-360X
Container-title:Research Journal of Pharmacy and Technology
language:en
Short-container-title:RJPT

Author:

Wahyuningsih Sri¹,F. Dibha Alyaa²,D. Kharisma Viol³,A. Murtadlo Affan³,Ansori A. N. M.⁴,H. Widyananda Muhammad⁵,Rebezov Maksim⁶,Burkov Pavel⁷,Derkho Marina⁷,Scherbakov Pavel⁷,Maksimiuk Nikolai⁸,Miftakhutdinov Alevtin⁷,Zainul Rahadian⁹

Affiliation:

1. Faculty of Biology, Gadjah Mada University, Yogyakarta, Indonesia.

2. Department of Chemistry, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia.

3. Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia.

4. Professor Nidom Foundation, Surabaya, Indonesia.

5. Department of Biology, Faculty of Mathematic and Natural Sciences, Universitas Brawijaya, Malang, Indonesia.

6. Department of Scientific Research, Russian State Agrarian University - Moscow Timiryazev Agricultural Academy, Moscow, Russian Federation.

7. Institute of Veterinary Medicine, South Ural State Agrarian University, Troitsk, Russian Federation.

8. Institute of Medical Education, Yaroslav-the-Wise Novgorod State University, Velikiy Novgorod, Russian Federation.

9. Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia.

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.

Publisher

A and V Publications

Subject

Pharmacology (medical),Pharmacology, Toxicology and Pharmaceutics (miscellaneous)

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