Genbinesia Journal of Biology
Vol. 1 No. 2 (2022): March 2022

Phytofluene from Physalis peruviana as promising anti-TB via InhA of Mycobacterium tuberculosis target: an in silico research

Prastiyanto, Muhammad Evy (Unknown)
Aini, Nur Sofiatul (Unknown)
Yuanita Rachmawati (Unknown)



Article Info

Publish Date
16 Jul 2024

Abstract

Tuberculosis (TB) is an infectious disease after severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) in developed countries including Indonesia. Drug resistance becomes major issue worldwide and needs prospective therapeutics development. Plant with medicinal properties including Physalis peruviana is one the promising object to be new anti-TB drug candidate. This study aimed to analyze the inhibitory activity of anti-TB agents from aerial parts of P. peruviana. Ligand and protein samples were obtained from PubChem and RCSB PDB, respectively. The bioactive compounds were evaluated their antibacterial prediction and drug-likeness properties throughout PASS Online and SwissADME webservers. Selected ligands then docked via PyRX and measured the output by binding affinity. Visualization of the best outputs was carried out using BIOVIA Discovery Studio. The result showed that phytofluene had the lowest binding affinity topping the isoniazid as control with -7.2 and -5.1 kcal/mol after targeting enoyl-[acyl-carrier-protein] reductase (InhA) protein of Mycobacterium tuberculosis. This concluded that phytofluene functioned as predictive anti-TB therapeutic candidate. Further in vitro and in vivo studies are needed to validate this outcome.

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Journal Info

Abbrev

gjb

Publisher

Subject

Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Health Professions Immunology & microbiology

Description

The Genbinesia Journal of Biology particularly focuses on the core disciplines in biology, they are: astrobiology, bacteriology, behavioural science, biochemistry, biodiversity, bioethics, bioinformatics, biomathematics, biophysics, biopolymers, biostatistics, biotechnology, botany, cell biology, ...