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Author: search.filters.author.Alwis, M.D.N.

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    Efficacy of methanolic extract of Zingiber officinale against seed-born fungi
    (2023) Hansini, Navoda; Sooriyawansha, A.M.S.C.; Jayawardena, P.A.S.N.P.; Kumarathunga, P.G.J.D.; Dananjaya, P.D.H.; Edirisinghe, E.A.C.P.; Alwis, M.D.N.; Daranagama, D.A.; Dahanayake, J.N.; Kadigamuwa, C.C.
    This study is focused on determining the efficacy of natural compounds present in Zingiber officinale methanolic plant extraction in controlling seed-born fungal pathogens Aspergillus flavus and Rhizopus oryzae. The maximum percentage inhibition of 94.01% and 90.43% was reported against. A. flavus and R. oryzae respectively for the crude extract in the poison food agar method. These results were further confirmed by computational investigation. [4] gingerol, [6]-gingerol, [8]-gingerol, [10]-gingerol, and [6]-dehydroginger phytochemicals identified in the extract were docked to the active sites in chitin synthase from A. flavus and squalene epoxidase from A. flavus and R.oryzae, and to the RNA dependent RNA polymerase (RdRp) enzyme from R. oryzae. The highest binding energy (BE) (-8.12 kcal/mol) was noticed between the interactions of squalene epoxidase and [6]-dehydroginger, and this complex was subjected to Molecular Dynamic (MD) analysis. MD simulations were performed on protein-ligand complexes for 10 ns using CHARMM36 force field. The mean radius of gyration (Rg), root mean square deviation (RMSD), and root mean square fluctuation (RMSF) were calculated and hydrogen bond analysis (HBA) was also performed. Rg and RMSD results indicated the stability of the protein-ligand complex throughout the simulation time.
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    In vivo and in silico Antifungal Activity of Cinnamon Leaf Oil and Lemongrass Oil containing Chitosan Microcapsules against Aspergillus flavus
    (2024-04) Kumarathunga, P.G.J.D.; Chathurangi, S.; Rajapaksha, R.P.S.P.; Sooriyawansha, A.M.S.C.; Jayawardena, P.A.S.N.P.; Dananjaya, P.D.H.; Alwis, M.D.N.; Kadigamuwa, C.C.; Dahanayake, J.N.; Wickramarachchi, Suranga
    This study aimed to examine the potentiality of microencapsulated cinnamon leaf oil (CNO-CS-MCs) and lemongrass oil (LGO-CS-MCs) as natural fungicides against Aspergillus flavus. Oil encapsulated microcapsules were synthesized using ionotropic gelation method. Cinnamon leaf oil (CNO) and lemongrass oil (LGO) were characterized using GC-MS. A. flavus was isolated and identified using DNA sequencing. The minimum inhibitory and minimum lethal doses of oil-loaded microcapsules against A. flavus were evaluated under in vivo conditions and the results were further confirmed by in silico analysis. The major constituents of CNO and LGO were eugenol and citral, respectively. The minimum inhibitory doses of CNO-CS-MCs and LGO-CS-MCs were 5 mg and 7.5 mg, respectively. The minimum lethal dose of CNO-CS-MCs was 12.5 mg. As CNO showed considerably high antifungal activity than LGO, Computational investigations were carried out on the action of CNO against A. flavus. The highest protein-ligand interaction was observed for squalene epoxidase (SQ)-benzyl benzoate (BEN) complex with the binding energy of -7.70 kcal/mol. Molecular dynamics simulations were performed on SQ-BEN complex for 10 ns using CHARMM36 force field. The Rg, RMSD and RMSF results indicated the stabilization of the SQ-BEN complex throughout the simulation time.
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    Efficacy of methanolic extract of Zingiber officinale against seed-born fungi
    (Society for Conservation and Resource Development of Medicinal Plant, New Delhi, India., 2023) Hansini, Navoda; Sooriyawansha, A.M.S.C.; Jayawardena, P.A.S.N.P.; Kumarathunga, P.G.J.D.; Dananjaya, P.D.H.; Edirisinghe, E.A.C.P.; Alwis, M.D.N.; Daranagama, D.A.; Dahanayake, J.N.; Kadigamuwa, C.C.
    This study is focused on determining the efficacy of natural compounds present in Zingiber officinale methanolic plant extraction in controlling seed-born fungal pathogens Aspergillus flavus and Rhizopus oryzae. The maximum percentage inhibition of 94.01% and 90.43% was reported against. A. flavus and R. oryzae respectively for the crude extract in the poison food agar method. These results were further confirmed by computational investigation. [4]-gingerol, [6]-gingerol, [8]-gingerol, [10]-gingerol, and [6]-dehydroginger phytochemicals identified in the extract were docked to the active sites in chitin synthase from A. flavus and squalene epoxidase from A. flavus and R.oryzae, and to the RNA dependent RNA polymerase (RdRp) enzyme from R. oryzae. The highest binding energy (BE) (-8.12 kcal/mol) was noticed between the interactions of squalene epoxidase and [6]-dehydroginger, and this complex was subjected to Molecular Dynamic (MD) analysis. MD simulations were performed on protein-ligand complexes for 10 ns using CHARMM36 force field. The mean radius of gyration (Rg), root mean square deviation (RMSD), and root mean square fluctuation (RMSF) were calculated and hydrogen bond analysis (HBA) was also performed. Rg and RMSD results indicated the stability of the protein-ligand complex throughout the simulation time.