74270-74-9Relevant academic research and scientific papers
Narrow SAR in odorant sensing Orco receptor agonists
Romaine, Ian M.,Taylor, Robert W.,Saidu, Samsudeen P.,Kim, Kwangho,Sulikowski, Gary A.,Zwiebel, Laurence J.,Waterson, Alex G.
, p. 2613 - 2616 (2015/02/19)
The systematic exploration of a series of triazole-based agonists of the cation channel insect odorant receptor is reported. The structure-activity relationships of independent sections of the molecules are examined. Very small changes to the compound structure were found to exert a large impact on compound activity. Optimal substitutions were combined using a 'mix-and-match' strategy to produce best-in-class compounds that are capable of potently agonizing odorant receptor activity and may form the basis for the identification of a new mode of insect behavior modification.
Atom level electrotopological state indexes in QSAR: Designing and testing antithyroid agents
Abou-Shaaban, Rafiq R. A.,Al-Khamees, Hamad A.,Abou-Auda, Hisham S.,Simonelli, Anthony P.
, p. 129 - 136 (2007/10/03)
Purpose. To design new antithyroid agents with less side effects, the electrotopological-state (E-state) indexes of thiourylene moiety (S(N and S)) was utilized as a guideline to develop five acyclic thiourylene-type compounds with reduced antioxidant property. Methods. These agents were synthesized and screened for antithyroid activity in rats using 125I-thiocyanate discharge technique. In addition, chemiluminescence studies on the activated polymorphonuclear leukocytes (PMNLs) were also conducted to reveal antioxidant properties of the tested compounds. Results. A linear relationship between the in vitro literature value of the formation constants of thiourylene-type compounds with iodine (K(C)) and the S(N and S) was observed and utilized in designing those agents. At]east one of the compounds (abouthiouzine) was found to have a potential value as an antithyroid agent. The relative efficacy of abouthiouzine [1-n-butyl-3(isonicotinamido)-2-thiourea], after equimolar dose, was 102% and 51.5% of that of propylthiouracil with respect to the rate of 125I-discharge and 125I-uptake, respectively. In addition, Chemiluminescence studies on PMNLs revealed that abouthiouzine has slight oxidant property. Such properties may provide advantages in avoiding the iatrogenic hypothyroidism and antithyroid-induced immunological reactions. Conclusions. The E-state approach provides guidelines to economize efforts and cost of designing new antithyroid drugs.
