P R, Kavitha Rani <br/><br/>
Single crystal XRD, DFT investigations and molecular docking study of 2- ((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)naphthalene-1,4-dione as a potential anti- cancer lead molecule.  [electronic resource] 

 -  Computational biology and chemistry  Feb 2019 
 - 153-164 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1476-928X 
<br/><br/><label>Standard No.: </label>10.1016/j.compbiolchem.2018.11.022  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Antineoplastic Agents--chemical synthesis<br/>Cell Line, Tumor<br/>Cell Proliferation--drug effects<br/>Cell Survival--drug effects<br/>Crystallography, X-Ray<br/>Density Functional Theory<br/>Dose-Response Relationship, Drug<br/>Drug Screening Assays, Antitumor<br/>Humans<br/>MCF-7 Cells<br/>Models, Molecular<br/>Molecular Structure<br/>Structure-Activity Relationship