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  • J. G. Hengstler
    Leibniz Research Centre for Working Environment and Human Factors
    Ardeystr. 67
    D-44139 Dortmund
    Germany
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    Apoptosis: molecular mechanisms and pathogenicity
    (2010-02-09T14:34:48Z) Rastogi, Rajesh P.; Richa; Sinha, Rajeshwar P.
    Apoptosis triggered by exogenous and endogenous stimuli such as ultraviolet radiation, oxidative stress, and genotoxic chemicals is a crucial phenomenon within biological systems. DNA damage activates and stabilizes p53 in nucleus and cytoplasm and regulates other proteins that stimulate intrinsic and extrinsic apoptotic pathways. Apoptosis is morphologically distinct from that of necrosis and both the phenomena depend on the types, developmental stages, physiological environment of tissues and the nature of death signal. Malfunctioning of apoptotic pathway may cause human diseases like cancer, neurodegenerative and autoimmune disorders. Recently, potent apoptosis-inducing compounds associated with human health have been recorded that prevent tumor promotion, progression, and the occurrence of cellular inflammatory responses. Certain photosensitizing drugs are being employed in photodynamic therapy to induce apoptosis for the treatment of cancer and non-cancerous cells. This review emphasizes the molecular mechanisms of apoptosis, associated diseases and certain therapeutic agents implicated in the elimination of malignant cells.
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    A practical overview of quantitative structure-activity relationship
    (2009-07-08T08:22:46Z) Isarankura-Na-Ayudhya, Chartchalerm; Naenna, Thanakorn; Nantasenamat, Chanin; Prachayasittikul, Virapong
    Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of predictive models of biological activities as a function of structural and molecular information of a compound library. The concept of QSAR has typically been used for drug discovery and development and has gained wide applicability for correlating molecular information with not only biological activities but also with other physicochemical properties, which has therefore been termed quantitative structure-property relationship (QSPR). Typical molecular parameters that are used to account for electronic properties, hydrophobicity, steric effects, and topology can be determined empirically through experimentation or theoretically via computational chemistry. A given compilation of data sets is then subjected to data preprocessing and data modeling through the use of statistical and/or machine learning techniques. This review aims to cover the essential concepts and techniques that are relevant for performing QSAR/QSPR studies through the use of selected examples from our previous work.