Toxicophores
WebDec 1, 2005 · Toxicophores that have been associated with adverse outcomes can be subdivided into two classes—(1) the fragments that do not require metabolic transformation to manifest an adverse event or ... WebSep 15, 2024 · This digest highlights the applications of most commonly employed amide isosteres in drug design aiming at improving potency and selectivity, optimizing physicochemical and pharmacokinetic properties, eliminating or modifying toxicophores, as well as providing novel intellectual property of lead compounds. Keywords:
Toxicophores
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WebIn addition, and most significantly, VIN consists of electrophilic functional groups associated with adverse drug reactions, referred to as toxicophores, responsible for toxicity [35,36]. It … WebA toxophore is the chemical group that produces the toxic effect in a toxin molecule: [1] commonly used in pharmaceutical and pesticide sciences.
WebJan 13, 2005 · Mutagenicity is one of the numerous adverse properties of a compound that hampers its potential to become a marketable drug. Toxic properties can often be related … WebThe toxic properties of compounds can be related to chemical structures, and more specifically, to particular substructures, called toxicophores. Reliability and accuracy of …
WebApr 13, 2024 · Computational pharmacology and chemistry of drug-like properties along with pharmacokinetic studies have made it more amenable to decide or predict a potential drug candidate. 4-Hydroxyisoleucine is a pharmacologically active natural product with prominent antidiabetic properties. In this study, ADMETLab 2.0 was used to determine its important … WebKazius dataset (Figure 4) comprises of a group of 29 toxicophores, developed from the mutagenicity dataset after applying a novel toxicophore selection and validation criterion. …
A toxicophore is a chemical structure or a portion of a structure (e.g., a functional group) that is related to the toxic properties of a chemical. Toxicophores can act directly (e.g., dioxins) or can require metabolic activation (e.g., tobacco-specific nitrosamines ).
WebOxicams are a series of N -heterocyclic carboxamides of 1,2-benzothiazine 1,1-dioxides. Piroxicam ( 207) was the first member of this family of NSAIDs (nonsteroidal anti-inflammatory drugs), which are inhibitors of prostaglandin biosynthesis. br 1600cd bossWebJan 10, 2014 · Abstract. It is generally accepted that bioactivation of relatively inert functional groups (toxicophores) to reactive metabolites is an obligatory step in the … br1632a-faWebβ-Lactam antibiotics, especially penicillins and cephalosporins, have emerged as drugs of choice to treat many infections for the following reasons: they cover a broad antibacterial spectrum, they are very safe, and are bactericidal, and … gyproc protect f ergo brandgipsplade gfe 15WebDefine toxicology. the branch of science concerned with the nature, effects, and detection of poisons. Discuss the role of forensic toxicologist in their efforts to a. determine the effect of a drug b. establish a cause and effect of the drug c. develop treatments d. develop techniques to detect the drug or toxin ... gyproc platen gammaWebIonic liquids (ILs), also known as liquid electrolytes, are powerful solvents with a wide variety of academic and industrial applications. Bioassays with aquatic organisms constitute an effective tool for the evaluation of ILs' toxicity, as well as for the prediction and identification of possible moieties that act as toxicophores. br 163 fechadaWebMay 15, 2012 · It was observed that compounds containing toxicophores were being classified as non-mutagens. From 121 false negatives, derivatives of 18 aromatic nitro groups, 9 quinoline, 7 butyl acetate, 5 cresol, 4 phenanthrene, 4 acetanilide, 3 carbinol, 3 methyl aminoethanol, 3 azo compounds were observed and the remaining were … br1632a fanWebDeepTox supported the automatic learning of features that were similar to well-established toxicophores identified by expert knowledge and experience. Flask-based web application [ 179] Neural network model is integrated into the web application through which a user can input a custom testing features data-set containing gene expression and ... br 1651-2 ra is