Herein we describe the 3D QSAR study of 4-anilinoquinoline-3-carbonitrile by Genetic Function Approximation (GFA) and Comparative Molecular Field Analysis (CoMFA).
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QSAR AND MOLECULAR MODELING STUDIES IN IMIDAZOPYRIDINETHIAZOLIDINE-2,4-DIONES: PPARγ AGONISTS
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Molecular Modeling of P-Glycoprotein and Related Drugs
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This paper summarizes the results from molecular modeling of various multidrug resistance (MDR) modulators and the MDR protein P-glycoprotein (P-gp).
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The pKi values for acetylcholinesterase and butyrylcholinesterase inhibitions by these drugs are linearly correlated with the molecular weights, with slopes of 0.005 and 0.0021, respectively.
A method of the determination of the precipitability of polycaprolactam was established, using phenol-alcohol-water (volume ratio 2∶1∶1) as the solvent and acetone as the precipitant. 0.2 g of the polymer was dissolved in 10 ml of the solvent at 20℃ and titrated with acetone until turbidity began to appear. The calculated precipitabilifies gave a linear function with the reciprocal of the molecular weights obtained from carboxyl group titration method. The values of the constants in the Schulz equatio...
The continuous decrease of the viscosity of rubber solution in toluene or benzene under nitrogen atmosphere with the addition of an antioxidant has been confirmed to be the result of photochemical degradation by the diffused sunlight in the laboratory. An equipment for the determination of intrinsic viscosity under nitrogen atmosphere in the darkness is hereby described. It gives reproducible viscosity data and reliable values of intrinsic viscosity.A sample of first grade smoked sheet of plantation Hevea r...
The liquid-liquid equilibrium data for ternary systems: propionic acid-ethyl aceta te-water at 15℃, butyric acid-ethyl acetate-water at 15° and 30℃, and mixed acids (acetic, propionic, butyric acid)-ethyl acetate-water at 15℃ were determined. Thevapor-liquid-equilibrium data for binary systems of acetic-propionic acid, propionicbutyric acid, and acetic-butyric acid under normal pressure were also given. The authors regarded that the non-ideal behavior of vapor-liquid equilibrium is mainly attributed to the ...