title: Investigations on the 4-quinolone-3-carboxylic acid motif. 1. Synthesis and structure-activity relationship of a class of human immunodeficiency virus type 1 integrase inhibitors.
abstract: A set of 4-quinolone-3-carboxylic acids bearing different substituents on the condensed benzene ring was designed and synthesized as potential HIV-1 integrase inhibitors structurally related to elvitegravir. Some of the new compounds proved to be able to inhibit the strand transfer step of the virus integration process in the micromolar range. Docking studies and quantum mechanics calculations were used to rationalize these data.
authors.affiliation: Dipartimento Farmaco Chimico Tecnologico, Universita degli Studi di Siena, Via A. Moro, 53100 Siena, Italy.
authors.forename: Serena
authors.initials: S
authors.lastname: Pasquini
authors.forename: Claudia
authors.initials: C
authors.lastname: Mugnaini
authors.forename: Cristina
authors.initials: C
authors.lastname: Tintori
authors.forename: Maurizio
authors.initials: M
authors.lastname: Botta
authors.forename: Alejandro
authors.initials: A
authors.lastname: Trejos
authors.forename: Riina K
authors.initials: RK
authors.lastname: Arvela
authors.forename: Mats
authors.initials: M
authors.lastname: Larhed
authors.forename: Myriam
authors.initials: M
authors.lastname: Witvrouw
authors.forename: Martine
authors.initials: M
authors.lastname: Michiels
authors.forename: Frauke
authors.initials: F
authors.lastname: Christ
authors.forename: Zeger
authors.initials: Z
authors.lastname: Debyser
authors.forename: Federico
authors.initials: F
authors.lastname: Corelli
mesh_terms: D042462:4-Quinolones / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D045744:Cell Line, Tumor; D002470:Cell Survival / Q000187:drug effects; D019427:HIV Integrase / Q000187:drug effects*; D019428:HIV Integrase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D006801:Humans; D020128:Inhibitory Concentration 50; D013329:Structure-Activity Relationship
chemical_list: D042462:4-Quinolones; D019428:HIV Integrase Inhibitors; D019427:HIV Integrase; C514801:p31 integrase protein, Human immunodeficiency virus 1