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	Provedor de dados BABT (1) BJPS (1) Autor Hussain,Waqar (2) Rasool,Nouman (2) Amjad,Adnan (1) Jalal,Amir (1) Mahmood,Sajid (1) Majeed,Arshia (1) Qaddir,Iqra (1) Mais... Palavra-chave Molecular Docking (2) Phytochemicals (2) DENV4-NS1 (1) DFT calculations (1) Druglikeness (1) Molecular Dynamics Simulations (1) ZIKV-NS5 (1) Mais... Tipo do documento Info:eu-repo/semantics/article (2) Ano 2020 (1) 2018 (1) País Brazil (2) Idioma Inglês (2)		Ordenar por:  Relevância Autor Título Ano Registros recuperados: 2 Primeira ... 1 ... Última 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 Probing the Pharmacological Parameters, Molecular Docking and Quantum Computations of Plant Derived Compounds Exhibiting Strong Inhibitory Potential Against NS5 from Zika Virus BABT Rasool,Nouman; Jalal,Amir; Amjad,Adnan; Hussain,Waqar. ABSTRACT Zika virus (ZIKV) is known for microcephaly and neurological disease in humans and the nonstructural proteins of ZIKV play a fundamental role in the viral replication. Among the seven nonstructural proteins, NS5 is the most conserved and largest protein. Two major functional domains of NS5 i.e. methyltransferase (MTase) and RNA-dependent RNA polymerase (RdRp) are imperative for the virus life cycle and survival. The present study explicates the inhibitory action of phytochemicals from medicinal plants against NS5 from ZIKV, leading to the identification of potential inhibitors. The crystal structure of the protein is retrieved from RCSB protein data bank. A total of 2035 phytochemicals from 505 various medicinal plants are analysed for their... Tipo: Info:eu-repo/semantics/article Palavras-chave: ZIKV-NS5; Phytochemicals; Molecular Docking; DFT calculations. Ano: 2018 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-89132018000100324 Registros recuperados: 2 Primeira ... 1 ... Última

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