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X Demographics
Mendeley readers
| Title |
Three-dimensional quantitative structure activity relationship (QSAR) of cytotoxic active 3,5-diaryl-4,5-dihydropyrazole analogs: a comparative molecular field analysis (CoMFA) revisited study
|
|---|---|
| Published in |
BMC Chemistry, May 2012
|
| DOI | 10.1186/1752-153x-6-50 |
| Pubmed ID | |
| Authors |
Abdel-Sattar S Hamad Elgazwy, DaliaH S Soliman, Saad R Atta-Allah, Diaa A Ibrahim |
| Abstract |
In vitro antitumor evaluation of the synthesized 46 compounds of 3,5-diaryl-4,5-dihydropyrazoles against EAC cell lines and 3D QSAR study using pharmacophore and Comparative Molecular Field Analysis (CoMFA) methods were described. CoMFA derived QSAR model shows a good conventional squared correlation coefficient r2 and cross validated correlation coefficient r2cv 0.896 and 0.568 respectively. In this analysis steric and electrostatic field contribute to the QSAR equation by 70% and 30% respectively, suggesting that variation in biological activity of the compounds is dominated by differences in steric (van der Waals) interactions. To visualize the CoMFA steric and electrostatic field from partial least squares (PLS) analysis, contour maps are plotted as percentage contribution to the QSAR equation and are associated with the differences in biological activity. |
X Demographics
The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Germany | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 11 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 11 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Master | 2 | 18% |
| Student > Ph. D. Student | 2 | 18% |
| Student > Doctoral Student | 1 | 9% |
| Student > Bachelor | 1 | 9% |
| Researcher | 1 | 9% |
| Other | 1 | 9% |
| Unknown | 3 | 27% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 3 | 27% |
| Agricultural and Biological Sciences | 3 | 27% |
| Pharmacology, Toxicology and Pharmaceutical Science | 1 | 9% |
| Biochemistry, Genetics and Molecular Biology | 1 | 9% |
| Unknown | 3 | 27% |