Molecular connectivity to find β-blockers with low toxicity

Flow‐chemiluminescence: a growing modality of pharmaceutical analysis

“…20 Lophine (Scheme 1) is oxidized by alkaline dimethyl sulphoxide, as well as by peroxide-hypochlorite and peroxide-hexacyanoferrate(III) mixtures and oxygen in an alcoholic medium containing sodium hydroxide. The reaction is catalysed by various inorganic ions, including AuCl 4 À , ClO À , Fe(CN) 6 3À , Co(II) and Cr(III). A FIA system has been used to examine the chemiluminescence reactions of 18 lophine derivatives.…”

“…42 The reaction has also be used to quantify alkaloids by their inhibitory effect on the H 2 O 2 -luminol-NH 4 Cr(NH 3 ) 2 (SCN) 4 .H 2 O system. 43 None of the luminol derivatives tested to date has been found to surpass the parent compound in terms of chemiluminescence intensity.…”

“…21 The analytical systems that use this reaction are less markedly affected by the experimental conditions than are those based on the luminol reaction; however, the chemiluminescence produced can be diminished by readily oxidized species, such as bromide, iodide, sulphite, nitrite, organosulphur compounds and substituted anilides. 13 The aryl oxalate esters most widely used in this context are bis (2,4,6-trichlorophenyl) oxalate (TCPO) and bis (2,4,-dinitrophenyl) oxalate (DNPO). The chemiluminescence intensity achieved depends on the particular ester and solvent used, and can be altered via the pH (by addition of a weak acid or base).…”

Molecular structure descriptors in the computer-aided design of biologically active compounds

“…Lipophilicity of organic compounds (based on topological and information topological indices), log P ( see 355 ) log P = 0. b-Blocking activity of medicines, pLD 50 (see 356 ).…”

Search of Chemical Scaffolds for Novel Antituberculosis Agents

“…Extramechanistical approaches have been used to design new drugs, model toxicities, and find common structural patterns of the known drugs. [3][4][5][6][7][8] Some of these models are entirely based on the search of common patterns of molecular similarity and have been used for the selection and design of new analgesics, 9 beta-blockers, 10 sedatives, 11 bronchodilators, 12 antihistaminics, 13 antivirals, 14 antibacterials, 15 cytostatics, 16 antimycobacterials, 17 and antifungals, 18,19 many of which can be considered as lead drugs. They have been also successful in the prediction of diverse properties, such as chromatographic, 20 physicochemical, 21,22 soil-sediment sorption coefficients, 23 or drug transfer into breast milk.…”