title: Synthesis and binary QSAR study of antitubercular quinolylhydrazides.
abstract: In continuation with our previous work in anti-TB research area, in the present study we have demonstrated the structural diversity of quinolylhydrazides as potent anti-tuberculars. The compound library was synthesized by molecular hybridization approach and tested in vitro against Mycobacterium tuberculosis H37Rv strains. Among the designed conjugates, the most promising molecules were found to exhibit 100% Growth Inhibition (GI) at MIC <6.25 μg/mL. Moreover, several analogs in the designed series were also turned out as excellent anti-tuberculars. To probe the structural characteristics influencing on the SAR, the classification model was generated using a binary QSAR approach termed recursive partitioning (RP) analysis. The significant features outlined by the RP model act as a guide in order to design the 'lead' compound.
authors.affiliation: National Facility for Drug Discovery, Department of Chemistry, Saurashtra University, Rajkot 360005, Gujarat, India.
authors.forename: Atul
authors.initials: A
authors.lastname: Manvar
authors.forename: Vijay
authors.initials: V
authors.lastname: Khedkar
authors.forename: Jignesh
authors.initials: J
authors.lastname: Patel
authors.forename: Vipul
authors.initials: V
authors.lastname: Vora
authors.forename: Narsinh
authors.initials: N
authors.lastname: Dodia
authors.forename: Gautam
authors.initials: G
authors.lastname: Patel
authors.forename: Evans
authors.initials: E
authors.lastname: Coutinho
authors.forename: Anamik
authors.initials: A
authors.lastname: Shah
mesh_terms: D000995:Antitubercular Agents / Q000737:chemistry* / Q000494:pharmacology*; D015195:Drug Design; D006801:Humans; D006834:Hydrazines / Q000737:chemistry* / Q000494:pharmacology*; D008826:Microbial Sensitivity Tests; D009169:Mycobacterium tuberculosis / Q000187:drug effects*; D021281:Quantitative Structure-Activity Relationship; D015363:Quinolones / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: D000995:Antitubercular Agents; D006834:Hydrazines; D015363:Quinolones
keywords: Binary QSAR; H(37)Rv; Hydrazides; MABA; Mtb; Quinolones