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An in silico investigation of phytochemicals as potential inhibitors against non-structural protein 1 from dengue virus 4 BJPS
Qaddir,Iqra; Majeed,Arshia; Hussain,Waqar; Mahmood,Sajid; Rasool,Nouman.
Dengue fever has emerged as a big threat to human health since the last decade owing to high morbidity with considerable mortalities. The proposed study aims at the in silico investigation of the inhibitory action against DENV4-NS1 of phytochemicals from two local medicinal plants of Pakistan. Non-Structural Protein 1 of Dengue Virus 4 (DENV4-NS1) is known to be involved in the replication and maturation of viron in the host cells. A total of 129 phytochemicals (50 from Tanacetum parthenium and 79 from Silybum marianum) were selected for this study. The tertiary structure of DENV4-NS1 was predicted based on homology modelling using Modeller 9.18 and the structural stability was evaluated using molecular dynamics simulations. Absorption, distribution,...
Tipo: Info:eu-repo/semantics/article Palavras-chave: DENV4-NS1; Phytochemicals; Molecular Docking; Molecular Dynamics Simulations; Druglikeness.
Ano: 2020 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502020000100593
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