Potential active compounds of Streptomyces sennicomposti GMY01 for antiplasmodial and antiSARS-CoV-2 revealed by targeted metabolomic and molecular docking

Ema Damayanti; Khoirun Nisa; Rifki Febriansah; Ismanurrahman  Hadi; Achmad  Dinoto; Jaka Widada; Mustofa

doi:10.22146/ijpther.9825

Ema Damayanti 1Research Center for Food Technology and Processing, National Research and Innovation Agency, Gunungkidul, Indonesia
Khoirun Nisa 1Research Center for Food Technology and Processing, National Research and Innovation Agency, Gunungkidul, Indonesia https://orcid.org/0000-0002-4657-067X
Rifki Febriansah School of Pharmacy, Faculty of Medicine and Health Sciences, Universitas Muhammadiyah Yogyakarta, Bantul, Indonesia https://orcid.org/0000-0002-0961-1604
Ismanurrahman Hadi Pharmacy Department of STIKES Muhammadiyah Cirebon, Cirebon, Indonesia https://orcid.org/0000-0001-6413-3388
Achmad Dinoto 4Research Center for Applied Microbiology, National Research and Innovation, Cibinong, Indonesia https://orcid.org/0000-0002-9182-7665
Jaka Widada Department of Agricultural Microbiology, Faculty of Agriculture, Universitas Gadjah Mada, Yogyakarta, Indonesia https://orcid.org/0000-0001-5012-3795
Mustofa Department of Pharmacology and Therapy, Faculty of Medicine, Public Health and Nursing, Universitas Gadjah Mada, Yogyakarta, Indonesia https://orcid.org/0000-0001-9251-9851

DOI: https://doi.org/10.22146/ijpther.9825

Keywords: Streptomyces, COVID-19, Plasmodium, metabolomic, molecular docking

Abstract

Streptomyces sennicomposti GMY01 is a bacterium with huge biotechnological potential that revealed by genome mining analysis. This research aimed to investigate the potential compounds as antiplasmodial and the antiSARS-CoV-2 from the S. sennicomposti GMY01 using targeted metabolomic and in silico molecular docking. The crude extract was obtained by extraction of supernatant from fermentation product of the S. sennicomposti GMY01. The secondary metabolite profiling was obtained by using ultra-high-performance liquid chromatography (UHPLC) coupled to targeted high-performance mass spectrometry (HRMS) based on genome mining data of whole genome sequence (WGS). In silico molecular docking was performed on important target protein of P. falciparum i.e. glutathione reductase (PfGR), lactate dehydrogenase (PfLDH), phosphoethanolamine methyltransferase (Pfpmt), erythrocyte membrane protein 1 (PfEMP1) and glutathione-S-transferase (PfGST); and of SARS-CoV-2 proteins i.e. protease domain, spike glycoprotein, receptor-binding domain angiotensin-converting enzyme 2 (RBD-ACE2), 3-chymotrypsin-like protease (3CLpro), and RNA-dependent RNA polymerase (RdRp). One compound from S. sennicomposti GMY01 extract, albaflavenone was confirmed by targeted LC-HRMS. On molecular docking analysis, albaflavenone showed higher affinity than chloroquine as antiplasmodial drug and exhibited same affinity to remdesivir as antiSARS-CoV-2. Stertomyces sennicomposti GMY01 has promising biotechnological potential for drug development as antiplasmodial and anti-SARS-CoV-2 agent. Further study is needed, especially regarding in vitro testing of albaflavenone as antiplasmodial and antiSARS-CoV2.

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