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A highly sensitive impedimetric immunosensor based on a gold nanoparticles/multiwall carbon nanotube-ionic liquid electrode (AuNPs/MW-CILE) was developed for the determination of human epidermal growth factor receptor 2 (HER2). Gold nanoparticles were used to enhance the extent of immobilization and to retain the immunoactivity of the antibody Herceptin on(More)
Quantitative relationships between structures of 26 diaryl substituted pyrazoles as CCR2 inhibitors and their activities were investigated by four linear and nonlinear methods namely MLR, PLS, GRNN and LS-SVM. The obtained models were able to describe about 83%, 87%, 86%, and 0.91% of the variance in the experimental activity of molecules in training set,(More)
A computational procedure was performed on some indenopyrazole derivatives. Two important procedures in computational drug discovery, namely docking for modeling ligand-receptor interactions and quantitative structure activity relationships were employed. MIA-QSAR analysis of the studied derivatives produced a model with high predictability. The developed(More)
Quantitative relationships between molecular structures and CCR5 inhibitory activities of forty two 1-amino-2-phenyl-4-(piperidin-1-yl)-butane derivatives were discovered by chemometrics tools including GA-MLR and FA-MLR as linear models and GA-LS-SVM and FA-LS-SVM as nonlinear models. GA-MLR analysis indicated that the topological (X2A) and geometrical(More)
Quantitative relationships between molecular structures and bioactivities of a set of CCR5 inhibitor derivatives were discovered. We have demonstrated the detailed application of two efficient nonlinear methods, general regression and radial basis function neural networks, for evaluation of quantitative structure–activity relationships of the studied(More)
Herein, a facile hydrothermal treatment of lime juice to prepare biocompatible nitrogen-doped carbon quantum dots (N-CQDs) in the presence of ammonium bicarbonate as a nitrogen source has been presented. The resulting N-CQDs exhibited excitation and pH independent emission behavior; with the quantum yield (QY) up to 40%, which was several times greater than(More)
A highly sensitive ionic liquid-multiwall carbon nanotube based impedimetric immunosensor modified with gold nanoparticles (GNPs) was developed for the determination of human serum albumin (HSA). The antigen and antibody models used were HSA and activated anti-HSA, respectively. GNPs were electrodeposited on the multiwall based carbon ionic liquid electrode(More)
BACKGROUND AND PURPOSE OF THE STUDY A quantitative structure activity relationship (QSAR) model based on artificial neural networks (ANN) was developed to study the activities of 29 derivatives of 3-amino-4-(2-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy) phenylamino) cyclobutenedione as C-C chemokine receptor type 1(CCR1) inhibitors. METHODS A feed-forward(More)
Quantitative relationships between molecular structure of forty eight aldehyde compounds with their known Cathepsin K inhibitory effects were discovered by partial least squares (PLS) method. Evaluation of a test set of 10 compounds with the developed PLS model revealed that this model is reliable with a good predictability. Since the QSAR study was(More)