biostudies-literatureUnknown12(1)Khan MAMagnaporthe oryzae is one of the most notorious fungal pathogens that causes blast disease in cereals, and results in enormous loss of grain production. Many chemical fungicides are being used to control the pathogen but none of them are fully effective in controlling blast disease. Therefore, there is a demand for the discovery of a new natural biofungicide to manage the blast disease efficiently. A large number of new natural products showed inhibitory activities against M. oryzae in vitro. To find out effective biofungicides, we performed in silico molecular docking analysis of some of the potent natural compounds targeting four enzymes namely, scytalone dehydratase, SDH1 (PDB ID:1STD), trihydroxynaphthalene reductase, 3HNR (PDB ID:1YBV), trehalose-6-phosphate synthase, Tps1 (PDB ID:6JBScientific reports20232https://www.ebi.ac.uk/biostudies/studies/S-EPMC9684433biostudies-literatureHighly potent natural fungicides identified in silico against the cereal killer fungus Magnaporthe oryzae.PMC9684433Islam TAhsan AGupta DRAl Mamun Khan MAHoque MNSanjana JMKhan MAMahfuz AMUBfalseHighly potent natural fungicides identified in silico against the cereal killer fungus Magnaporthe oryzae.Magnaporthe oryzae is one of the most notorious fungal pathogens that causes blast disease in cereals, and results in enormous loss of grain production. Many chemical fungicides are being used to control the pathogen but none of them are fully effective in controlling blast disease. Therefore, there is a demand for the discovery of a new natural biofungicide to manage the blast disease efficiently. A large number of new natural products showed inhibitory activities against M. oryzae in vitro. To find out effective biofungicides, we performed in silico molecular docking analysis of some of the potent natural compounds targeting four enzymes namely, scytalone dehydratase, SDH1 (PDB ID:1STD), trihydroxynaphthalene reductase, 3HNR (PDB ID:1YBV), trehalose-6-phosphate synthase, Tps1 (PDB ID:6JB2022-01-01T00:00:00Z2022 Nov2026-05-27T20:38:59.355Z2025-04-21T14:12:06.635ZS-EPMC96844333641886310.1038/s41598-022-22217-w