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• W2922400944 abstract "Abstract According to the 2018 report of the United Nations Programme on HIV/AIDS (UNAIDS), acquired immune deficiency syndrome (AIDS), a disease caused by the human immunodeficiency virus (HIV), remains a significant public health problem. The non-existence of a cure or effective vaccine for the disease and the associated emergence of resistant viral strains imply an urgent need for the discovery of novel anti-HIV drug candidates. The current study aimed to identify potential anti-retroviral compounds from Alchornea cordifolia . Bioactive compounds were identified using several chromatographic and spectroscopic techniques and subsequently evaluated for cytotoxicity and anti-HIV properties. Molecular modelling studies against HIV-1 integrase (HIV-1 IN) were performed to decipher the mode of action of methylgallate, the most potent compound (IC 50 = 3.7 nM) and its analogues from ZINC database. Cytotoxicity assays showed that neither the isolated compounds nor the crude methanolic extract displayed cytotoxicity effects on the HeLa cell line. A strong correlation between the in vitro and in silico results was observed and important HIV-1 IN residues interacting with the different compounds were identified. These current results indicate that methylgallate is the main anti-HIV-1 compound in A. cordifolia stem bark, and could be a potential platform for the development of new HIV-1 IN inhibitors." @default.
• W2922400944 created "2019-03-22" @default.
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• W2922400944 date "2019-03-18" @default.
• W2922400944 modified "2023-10-16" @default.
• W2922400944 title "Anti-HIV-1 integrase potency of methylgallate from Alchornea cordifolia using in vitro and in silico approaches" @default.
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• W2922400944 doi "https://doi.org/10.1038/s41598-019-41403-x" @default.
• W2922400944 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6423119" @default.
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