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All Journal Genbinesia Journal of Biology
Yuanita Rachmawati
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Health Professions Immunology & microbiology

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Phytofluene from Physalis peruviana as promising anti-TB via InhA of Mycobacterium tuberculosis target: an in silico research Prastiyanto, Muhammad Evy; Aini, Nur Sofiatul; Yuanita Rachmawati
Genbinesia Journal of Biology Vol. 1 No. 2 (2022): March 2022
Publisher : Generasi Biologi Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55655/genbinesia.v1i2.47

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.
3,3-dimethyl-octane from Physalis peruviana as promising anti-DENV via ADMET prediction of pkCSM open webserver Prastiyanto, Muhammad Evy; Solekha, Rofiatun; Rohmah, Laila Ainur; Yuanita Rachmawati; Aini, Nur Sofiatul
Genbinesia Journal of Biology Vol. 3 No. 1 (2023): November 2023
Publisher : Generasi Biologi Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55655/genbinesia.v3i1.63

Abstract

Dengue is caused by the dengue virus (DENV) and being prevalent in 100 tropical and subtropical countries including Indonesia. This disease is spread by Aedes mosquitoes. There is currently no clinically authorized medicine to treat the dengue fever. Physalis peruviana has ethnomedicine application and noted for its antioxidant activities. This study purpose to investigate the pharmacokinetics or ADMET of anti-DENV from leaf parts of P. peruviana. The phytoconstituents data were gathered from multiple sources. The drug property and ADMET prediction were assessed using pkCSM. Following online screening, 3,3-dimethyl-octane functioned as predictive anti-DENV therapeutic candidate. Further dry and wet lab studies are needed to validate this finding.
Co-Authors Aini, Nur Sofiatul Prastiyanto, Muhammad Evy Rohmah, Laila Ainur Solekha, Rofiatun