title: QSAR Studies and Design of Some Tetracyclic 1,4-Benzothiazines as Antimicrobial Agents.
abstract: A quantitative structure-activity relationship (QSAR) analysis has been performed on a series of 20 tetracyclic 1,4-benzothiazines (1a-1t) with antimicrobial activity to explain the observed biological activity trend on structural basis. Multiple linear regression (MLR) method was employed to establish statistically significant QSAR models. The developed models are robust, predictive and free from chance correlation with good fitting ability and sufficient generalizability. These studies revealed the dominance of WHIM parameters in describing antimicrobial activity of the title compounds. Further, design of some more active compounds is presented.
authors.affiliation: Department of Chemistry, Guru Jambheshwar University of Science and Technology, Hisar, Haryana, India.
authors.forename: S
authors.initials: S
authors.lastname: Mor
authors.affiliation: Department of Chemistry, Guru Jambheshwar University of Science and Technology, Hisar, Haryana, India.
authors.forename: S
authors.initials: S
authors.lastname: Nagoria
authors.affiliation: Department of Phamaceutical Sciences, Guru Jambheshwar University of Science and Technology, Hisar, Haryana, India.
authors.forename: A
authors.initials: A
authors.lastname: Kumar
authors.affiliation: Department of Bio & Nano Technology, Guru Jambheshwar University of Science and Technology, Hisar, Haryana, India.
authors.forename: A
authors.initials: A
authors.lastname: Kumar
authors.affiliation: Department of Chemistry, Guru Jambheshwar University of Science and Technology, Hisar, Haryana, India.
authors.forename: C P
authors.initials: CP
authors.lastname: Kaushik
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000494:pharmacology*; D000935:Antifungal Agents / Q000737:chemistry* / Q000494:pharmacology*; D001234:Aspergillus niger / Q000187:drug effects; D002176:Candida albicans / Q000187:drug effects; D015195:Drug Design; D004926:Escherichia coli / Q000187:drug effects; D016014:Linear Models; D008956:Models, Chemical; D011550:Pseudomonas aeruginosa / Q000187:drug effects; D021281:Quantitative Structure-Activity Relationship; D013843:Thiazines / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D013843:Thiazines