QSAR classification of metabolic activation of chemicals into covalently reactive species

Liew, Chin; Pan, Chuen; Tan, Andre; Ang, Ke; Yap, Chun
May 2012
Molecular Diversity;May2012, Vol. 16 Issue 2, p389
Academic Journal
No abstract available.


Related Articles

  • SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review. Scotti, Luciana; Mendonca Junior, Francisco Jaime Bezerra; Moreira, Diogo Rodrigo Magalhaes; da Silva, Marcelo Sobral; Pitta, Ivan R.; Scotti, Marcus Tullius // Current Topics in Medicinal Chemistry;Dec2012, Vol. 12 Issue 23/24, p2785 

    Flavonoids are phenolic compounds, secondary metabolites of plants that cause several benefits to our health, including helping the treatment against cancer. These pharmacological properties are associated with the ability of flavonoids in attenuating the generation of reactive oxygen species,...

  • Quantitative Structure–Activity Relationships and Mixture Toxicity of Substituted Benzaldehydes to Photobacterium phosphoreum. Wang, B.; Yu, G.; Hu, H.; Wang, L. // Bulletin of Environmental Contamination & Toxicology;Jun2007, Vol. 78 Issue 6, p503 

    This article discusses the application of quantitative structure-activity relationships (QSAR) to analyze model and predict the toxicity of mixtures of benzaldehydes in China. According to the authors, benzaldehydes are being introduced into the environment as intermediates to synthesize...

  • ANN and Bayesian Classification Models for Virtual Screening of Endocrine-Disrupting Chemicals. Nowicki, Piotr; Kokot, Zenon // Combinatorial Chemistry & High Throughput Screening;Jun2014, Vol. 17 Issue 5, p407 

    The identification of endocrine-disrupting chemicals (EDCs) is one of the important goals of environmental chemical hazard screening. The adverse health effects of EDCs in humans have been demonstrated to involve the developmental, reproductive, neurological, cardiovascular, metabolic, and...

  • Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms. Novotarskyi, Sergii; Sushko, Iurii; Koerner, Robert; Tetko, Igor V. // Journal of Cheminformatics;2013, Vol. 5 Issue S1, p1 

    A conference paper is presented about quantitative structure-activity relationship (QSAR) modeling in increasing accuracy of inhibition activity against Cytochromes P450 (CYP) isoforms. It informs that CYP are superfamily of enzymes, involved in metabolism of xenobiotic compounds and analyzes...

  • Dynamic QSAR Techniques: Applications in Drug Design and Toxicology. Mekenyan, Ovanes // Current Pharmaceutical Design;Aug2002, Vol. 8 Issue 17, p1605 

    The basic principles of 3-D quantitative structure-activity relationships (QSARs) analysis are discussed in the light of the fuzzy logic concept. According to that concept, the traditionally �one chemical - one structure - one parameter value� relationship in QSAR is suggested to be...

  • Recent Advances in Target Characterization and Identification by Photoaffinity Probes. Jitapa Sumranjit; Sang J. Chung // Molecules;Sep2013, Vol. 18 Issue 9, p10425 

    Target identification of biologically active molecules such as natural products, synthetic small molecules, peptides, and oligonucleotides mainly relies on affinity chromatography, activity-based probes, or photoaffinity labeling (PAL). Amongst them, activity-based probes and PAL have offered...

  • Summary of a Workshop on Regulatory Acceptance of (Q)SARs for Human Health and Environmental Endpoints. Jaworska, Joanna S.; Comber, M.; Auer, C.; Van Leeuwen, C.J. // Environmental Health Perspectives;Aug2003, Vol. 111 Issue 10, p1358 

    The "Workshop on Regulatory Use of (Q)SARs for Human Health and Environmental Endpoints," organized by the European Chemical Industry Council and the International Council of Chemical Associations, gathered more than 60 human health and environmental experts from industry, academia, and...

  • Trend of Multi-Scale QSAR in Drug Design. LIAN SHENG QIAO; YI-LIAN CAI; YU-SU HE; LU-DI JIANG; XIAO-QIAN HUO; YAN-LING ZHANG // Asian Journal of Chemistry;2014, Vol. 26 Issue 18, p5917 

    Quantitative structure-activity relationship (QSAR) is a common method for drug designing. The classification methods of conventional QSAR often consider the dimensions of research measures or the variety of biological activity. The research objects of traditional QSAR are always at the...

  • Quantitative Structure-Activity Relationships for the Toxicity to the Tadpole Rana japonica of Selected Phenols. Wang, X.; Dong, Y.; Xu, S.; Wang, L.; Han, S. // Bulletin of Environmental Contamination & Toxicology;Jun2000, Vol. 64 Issue 6, p859 

    The article discusses the quantitative structure-activity relationships (QSARs) for the toxicity to the tadpole rana japonica of selected phenols. It is infeasible to test the toxicity of every chemical to all species due to the constraints of time and money. Under these circumstances,...

  • 2D QSAR Study for Gemfibrozil Glucuronide as the Mechanism-based Inhibitor of CYP2C8. TAXAK, N.; BHARATAM, P. V. // Indian Journal of Pharmaceutical Sciences;Nov/Dec2013, Vol. 75 Issue 6, p680 

    Mechanism-based inhibition of cytochrome P450 involves the bioactivation of the drug to a reactive metabolite, which leads to cytochrome inhibition via various mechanisms. This is generally seen in the Phase I of drug metabolism. However, gemibrozil (hypolipidemic drug) leads to mechanism-based...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics