The identification of pharmacophore and three dimensional quantitative structure-activity studies... more The identification of pharmacophore and three dimensional quantitative structure-activity studies have been performed on a set of N-(2-Benzoylphenyl)-L-tyrosine for their PPARgamma agonist activity by using the logico-structural based software Apex 3D-which describes the properties and distribution of primary and secondary biophore sites in the three dimensional space. Among several models, two models of comparable probability were selected on the basis of R(2)>0.60, chance </=0.04, size <4, match >0.20. These models showed a good correlation between the observed and predicted biological activity both for training and test sets.
3D QSAR studies namely CoMFA, advance CoMFA and CoMSIA have been carried out on a series of pyrro... more 3D QSAR studies namely CoMFA, advance CoMFA and CoMSIA have been carried out on a series of pyrroloquinazolines for their thrombin receptor antagonistic activity. The predicted activities by highly significant CoMFA (q2=0.66 and CoMSIA (q2=0.67) models were in good accordance with observed activities and the models may be useful for optimization of thrombin receptor antagonistic activity.
Central Drug Research Institute, Chattar Manzil Palace, Lucknow-226 001, India Abstract: In silic... more Central Drug Research Institute, Chattar Manzil Palace, Lucknow-226 001, India Abstract: In silico high throughput screens provide an efficient (time and money) and effective (with comparable or better accuracy) alternatives in comparison to their experimental counterparts, and ...
Indian journal of chemistry. Sect. A: …, Jan 1, 2006
Quantitative structure activity relationship studies have been carried out on cis-hexa and tetra-... more Quantitative structure activity relationship studies have been carried out on cis-hexa and tetra-hydrophthalazinones, a new class of selective PDE-4 inhibitors. The 78 compounds analyzed were divided into a training set of 62 and test set of 15 molecules (excluding one ...
The identification of pharmacophore and three dimensional quantitative structure-activity studies... more The identification of pharmacophore and three dimensional quantitative structure-activity studies have been performed on a set of N-(2-Benzoylphenyl)-L-tyrosine for their PPARgamma agonist activity by using the logico-structural based software Apex 3D-which describes the properties and distribution of primary and secondary biophore sites in the three dimensional space. Among several models, two models of comparable probability were selected on the basis of R(2)>0.60, chance </=0.04, size <4, match >0.20. These models showed a good correlation between the observed and predicted biological activity both for training and test sets.
3D QSAR studies namely CoMFA, advance CoMFA and CoMSIA have been carried out on a series of pyrro... more 3D QSAR studies namely CoMFA, advance CoMFA and CoMSIA have been carried out on a series of pyrroloquinazolines for their thrombin receptor antagonistic activity. The predicted activities by highly significant CoMFA (q2=0.66 and CoMSIA (q2=0.67) models were in good accordance with observed activities and the models may be useful for optimization of thrombin receptor antagonistic activity.
Central Drug Research Institute, Chattar Manzil Palace, Lucknow-226 001, India Abstract: In silic... more Central Drug Research Institute, Chattar Manzil Palace, Lucknow-226 001, India Abstract: In silico high throughput screens provide an efficient (time and money) and effective (with comparable or better accuracy) alternatives in comparison to their experimental counterparts, and ...
Indian journal of chemistry. Sect. A: …, Jan 1, 2006
Quantitative structure activity relationship studies have been carried out on cis-hexa and tetra-... more Quantitative structure activity relationship studies have been carried out on cis-hexa and tetra-hydrophthalazinones, a new class of selective PDE-4 inhibitors. The 78 compounds analyzed were divided into a training set of 62 and test set of 15 molecules (excluding one ...
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Papers by Anshuman Dixit