title: Exploration of novel thiobarbituric acid-, rhodanine- and thiohydantoin-based HIV-1 integrase inhibitors.
abstract: A novel compound inhibiting HIV-1 integrase has been identified by means of virtual screening techniques. A small family of structurally related molecules has been synthesized and biologically evaluated with some of the compounds possessing micromolar activity both in enzymatic and cellular assays.
authors.affiliation: Dipartimento Farmaco Chimico Tecnologico, Università degli Studi di Siena, Via A. De Gasperi 2, I-53100 Siena, Italy.
authors.forename: Suvi
authors.initials: S
authors.lastname: Rajamaki
authors.forename: Anna
authors.initials: A
authors.lastname: Innitzer
authors.forename: Chiara
authors.initials: C
authors.lastname: Falciani
authors.forename: Cristina
authors.initials: C
authors.lastname: Tintori
authors.forename: Frauke
authors.initials: F
authors.lastname: Christ
authors.forename: Myriam
authors.initials: M
authors.lastname: Witvrouw
authors.forename: Zeger
authors.initials: Z
authors.lastname: Debyser
authors.forename: Silvio
authors.initials: S
authors.lastname: Massa
authors.forename: Maurizio
authors.initials: M
authors.lastname: Botta
mesh_terms: D019380:Anti-HIV Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D002460:Cell Line; D019427:HIV Integrase / Q000737:chemistry* / Q000378:metabolism; D019428:HIV Integrase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D015497:HIV-1 / Q000187:drug effects*; D006801:Humans; D012236:Rhodanine / Q000138:chemical synthesis / Q000737:chemistry*; D013329:Structure-Activity Relationship; D013858:Thiobarbiturates / Q000138:chemical synthesis / Q000737:chemistry*; D013867:Thiohydantoins / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: D019380:Anti-HIV Agents; D019428:HIV Integrase Inhibitors; D013858:Thiobarbiturates; D013867:Thiohydantoins; D012236:Rhodanine; D019427:HIV Integrase; C029684:thiobarbituric acid; C514801:p31 integrase protein, Human immunodeficiency virus 1