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• W2790815772 abstract "Various reports have shown Cassiarin alkaloids, selective in vitro activities against various strains of Plasmodium falciparum with low cytotoxicity, which indicates their possible candidature as antimalarial drug. However, poor recognition of their protein targets and molecular binding behaviour, certainly limits their exploration as antimalarial drug candidature. To address this, we utilises inverse screening, based on three different docking methodologies in order to find their most putative protein targets. In our study, we screened 1047 protein structures from protein data bank, which belongs to 147 different proteins. Our investigation identified 16 protein targets for Cassiarins. In few cases of identified protein targets, the binding site was poorly studied, which encouraged us to perform comparative sequence and structural studies with their homologous proteins, like as in case of Kelch motif associated protein, Armadillo repeats only protein and Methionine aminopeptidase 1b. In our study, we also found Tryptophanyl-tRNA synthetase and 1-Deoxy-D-Xylose-5-phosphate reductoisomerase proteins are the most common targets for Cassiarins." @default.
• W2790815772 created "2018-03-29" @default.
• W2790815772 creator A5007457714 @default.
• W2790815772 creator A5047782784 @default.
• W2790815772 creator A5072426581 @default.
• W2790815772 creator A5081472090 @default.
• W2790815772 date "2018-05-01" @default.
• W2790815772 modified "2023-10-16" @default.
• W2790815772 title "Inverse docking based screening and identification of protein targets for Cassiarin alkaloids against Plasmodium falciparum" @default.
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• W2790815772 doi "https://doi.org/10.1016/j.jsps.2018.01.017" @default.
• W2790815772 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5961758" @default.
• W2790815772 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29844728" @default.
• W2790815772 hasPublicationYear "2018" @default.
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