title: Topological potential of zwitterion analogues of cimetidine as H2 receptor antagonists.
abstract: Topological potential of zwitterionic analogues of cimetidine as H2 receptor antagonists have been investigated using a number of topological indices viz. molecular redundancy index (MRI), first order molecular connectivity index (1chiV) and rooted Wiener (Ww) and rooted Szeged (Szw) indices. The multiple regression analysis have indicated that the H2 receptor antagonist activities (-logKB) can be modelled using indicator parameters. Most significant results were obtained when MRI was coupled with Ww as well as the indicator parameters (Ip1 and Ip2).
authors.affiliation: Department of Chemistry, APS University, Rewa, India.
authors.forename: V K
authors.initials: VK
authors.lastname: Agrawal
authors.forename: S
authors.initials: S
authors.lastname: Sachan
authors.forename: P V
authors.initials: PV
authors.lastname: Khadikar
mesh_terms: D000465:Algorithms; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002927:Cimetidine / Q000031:analogs & derivatives* / Q000737:chemistry / Q000494:pharmacology*; D006635:Histamine H2 Antagonists / Q000737:chemistry / Q000494:pharmacology*; D008956:Models, Chemical; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis
chemical_list: D006635:Histamine H2 Antagonists; D002927:Cimetidine