Jesumoroti Omobolanle J, Mnkandhla Dumisani, Isaacs Michelle, Hoppe Heinrich C, Klein Rosalyn
Department of Chemistry , Rhodes University , Grahamstown , 6140 , South Africa . Email:
Department of Biochemistry and Microbiology , Rhodes University , Grahamstown , 6140 , South Africa.
Medchemcomm. 2018 Dec 10;10(1):80-88. doi: 10.1039/c8md00328a. eCollection 2019 Jan 1.
In an attempt to identify potential new agents that are active against HIV-1 IN, a series of novel coumarin-3-carbohydrazide derivatives were designed and synthesised. The toxicity profiles of these compounds showed that they were non-toxic to human cells and they exhibited promising anti-HIV-1 IN activities with IC values in nM range. Also, an accompanying molecular modeling study showed that the compounds bind to the active pocket of the enzyme.
为了鉴定对HIV-1整合酶(IN)有活性的潜在新药物,设计并合成了一系列新型香豆素-3-碳酰肼衍生物。这些化合物的毒性谱表明它们对人类细胞无毒,并且表现出有前景的抗HIV-1 IN活性,其半数抑制浓度(IC)值在纳摩尔范围内。此外,一项伴随的分子模拟研究表明这些化合物与该酶的活性口袋结合。