02423nas a2200217   4500008004100000022001400041245013900055210006900194260000900263490000800272520162400280653002501904653002001929653002301949653001801972653002101990653002202011100002002033700002002053856013202073       2024                        eng d  a0167-732200aTranscriptome analysis and Structure-Based drug discovery identifies potential biofungicides for controlling Fusarium wilt in chickpea0 aTranscriptome analysis and StructureBased drug discovery identif  cAPR 0 v3993 a<p>
	Fusarium wilt caused by the fungal pathogen Fusarium oxysporum f.sp. ciceri (Foc) is a devastating chickpea disease. Foc is a soil-borne pathogen that invades plants through roots and can kill them in three to four weeks. Although Fusarium wilt can be controlled by soil solarization or fumigation with chemical fungicides, these are not always effective. Soil fumigation is also hazardous to the beneficial soil microflora, deteriorates soil health, and causes pollution. Hence, there is an urgent need to identify potent and environment-friendly biofungicides to control fungal pathogens. We employed transcriptome analysis and structure-based drug discovery approaches to identify potential biofungicides from four widely used medicinal plants: Lantana camara, Piper betel, Ricinus communis, and Azadirachta indica. Fusarium wilt-resistant and susceptible chickpea varieties were pathogeninoculated and grown under controlled conditions in a greenhouse. Transcriptome analysis was performed to identify pathogenicity-related differentially expressed genes (DEGs). Over 600 phytochemicals from the four medicinal plants and four chemical fungicides were considered for molecular docking against the predicted protein structures of the four most expressed pathogen DEGs. The phytochemicals with the best docking scores and the lowest predicted toxicity risk were considered for molecular dynamics (MD) simulation at 100 ns timescale, and 15 potential biofungicides were identified. This study paves the way for developing biofungicides with enhanced efficacy and safety to manage Fusarium wilt in chickpea.</p>
10aAntifungal molecules10aCicer arietinum10afusarium oxysporum10aMD Simulation10amedicinal plants10aMolecular docking1 aSahoo, Rosaleen1 aKadoo, Narendra  uhttps://library.ncl.res.in/content/transcriptome-analysis-and-structure-based-drug-discovery-identifies-potential-biofungicides