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- W2332355145 abstract "HIV-1 integrase (IN) is an attractive and validated target for the development of novel therapeutics against AIDS. Significant efforts have been devoted to the identification of IN inhibitors using various methods. In this context, through virtual screening of the NCI database and structure-based drug design strategies, we identified several pharmacophoric fragments and incorporated them on various aromatic or heteroaromatic rings. In addition, we designed and synthesized a series of 5-aryl(heteroaryl)-isoxazole-3-carboxylic acids as biological isosteric analogues of beta-diketo acid containing inhibitors of HIV-1 IN and their derivatives. Further computational docking studies were performed to investigate the mode of interactions of the most active ligands with the IN active site. Results suggested that some of the tested compounds could be considered as lead compounds and suitable for further optimization." @default.
- W2332355145 created "2016-06-24" @default.
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- W2332355145 date "2005-02-01" @default.
- W2332355145 modified "2023-10-16" @default.
- W2332355145 title "Design of Novel Bioisosteres of β-Diketo Acid Inhibitors of HIV-1 Integrase" @default.
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- W2332355145 doi "https://doi.org/10.1177/095632020501600105" @default.
- W2332355145 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15739621" @default.
- W2332355145 hasPublicationYear "2005" @default.
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