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Chanin Nantasenamat Hao Li Prasit Mandi Apilak Worachartcheewan Teerawat Monnor Chartchalerm Isarankura-Na-Ayudhya Virapong Prachayasittikul 《Molecular diversity》2013,17(4):661-677
Aromatase, a rate-limiting enzyme catalyzing the conversion of androgen to estrogen, is overexpressed in human breast cancer tissue. Aromatase inhibitors (AIs) have been used for the treatment of estrogen-dependent breast cancer in post-menopausal women by blocking the biosynthesis of estrogen. The undesirable side effects in current AIs have called for continued pursuit for novel candidates with aromatase inhibitory properties. This study explores the chemical space of all known AIs as a function of their physicochemical properties by means of univariate (i.e., statistical and histogram analysis) and multivariate (i.e., decision tree and principal component analysis) approaches in order to understand the origins of aromatase inhibitory activity. Such a non-redundant set of AIs spans a total of 973 compounds encompassing both steroidal and non-steroidal inhibitors. Substructure analysis of the molecular fragments provided pertinent information on the structural features important for ligands providing high and low aromatase inhibition. Analyses were performed on data sets stratified according to their structural scaffolds (i.e., steroids and non-steroids) and bioactivities (i.e., actives and inactives). These analyses have uncover a set of rules characteristic to active and inactive AIs as well as revealing the constituents giving rise to potent aromatase inhibition. 相似文献
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Teerawat Sangpet 《Journal of sound and vibration》2010,329(13):2490-509
A passivity feedback control scheme with time-varying gains is proposed for adaptive synchronization of hyperchaotic systems. By transforming the synchronization error dynamics into an equivalent passive system, a synchronization control law with time-varying gains is achieved and the convergence of the synchronization errors is guaranteed. The feasibility and effectiveness of the proposed scheme is demonstrated through its application to hyperchaotic Lü systems. 相似文献
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Nuanphun Chantarasiri Teerawat Damrongkosit Duangruthai Sridaeng 《European Polymer Journal》2004,40(8):1867-1874
Metal-containing polyurethane-ureas and copolyurethane-ureas have been synthesized by the reaction between hexadentate Schiff base metal complexes and isocyanate-terminated prepolymers. The metal complexes employed were MSal2trien, where (M=Ni and Zn, Sal=salicylaldehyde and trien=triethylenetetramine). The NCO-terminated prepolymers used were tolylene 2,4-diisocyanate terminated poly(1,4-butanediol) (PB), tolylene 2,4-diisocyanate terminated poly(propylene glycol) (PP) prepolymers and the prepolymers synthesized from 4,4′-diphenylmethane diisocyanate (MDI) and diols. The diols employed were polycaprolactone diol (PCL) and poly(tetramethylene oxide) (PTMO). Copolyurethane-ureas were synthesized by the reaction between MSal2trien, PB or PP prepolymers and MDI. Characterizations of polymers were carried out using IR spectroscopy, elemental analysis, solubility and viscosity. Flammability of polymers was investigated by measuring limiting oxygen index (LOI) values and thermal stability was studied by thermogravimetric analysis (TGA). 相似文献
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