Polymorphic study and anti-inflammatory activity of a 3-cyano-2-pyridone based flexible model

作者: Sunil K. Rai , Praveen Singh , Shaziya Khanam , Ashish K. Tewari

DOI: 10.1039/C5NJ03683F

关键词:

摘要: … Prior to the simulations, all bound ligands, cofactors, and water … The grid maps representing the intact ligand in the actual … the binding site where the intact ligand was embedded. Finally, …

参考文章(38)
M F Sanner, Python: a programming language for software integration and development. Journal of Molecular Graphics & Modelling. ,vol. 17, pp. 57- 61 ,(1999)
Lin Jiang, Luhua Lai, CH···O Hydrogen Bonds at Protein-Protein Interfaces Journal of Biological Chemistry. ,vol. 277, pp. 37732- 37740 ,(2002) , 10.1074/JBC.M204514200
Meiyappan Muthuraman, Yvette Le Fur, Muriel Bagieu-Beucher, René Masse, Jean-François Nicoud, Sumod George, Ashwini Nangia, Gautam R. Desiraju, C'H... O and C'H... N Hydrogen Bond Networks in the Crystal Structures of Some 1,2-Dihydro-N-aryl-4,6-dimethylpyrimidin-2-ones Journal of Solid State Chemistry. ,vol. 152, pp. 221- 228 ,(2000) , 10.1006/JSSC.2000.8685
Giuseppe Ermondi, Giulia Caron, Raelene Lawrence, Dario Longo, Docking studies on NSAID/COX-2 isozyme complexes using contact statistics analysis. Journal of Computer-aided Molecular Design. ,vol. 18, pp. 683- 696 ,(2004) , 10.1007/S10822-004-6258-1
Joshua J. McKinnon, Mark A. Spackman, Anthony S. Mitchell, Novel tools for visualizing and exploring intermolecular interactions in molecular crystals. Acta Crystallographica Section B-structural Science. ,vol. 60, pp. 627- 668 ,(2004) , 10.1107/S0108768104020300
Sunil Kumar Rai, Priyanka Srivastava, Hariom Gupta, Maria del C. Puerta, Pedro Valerga, Ashish Kumar Tewari, None, Unusual reverse face-to-face stacking in propylene linked pyrazole system: perspective of organic materials Structural Chemistry. ,vol. 26, pp. 555- 563 ,(2015) , 10.1007/S11224-014-0512-5
Maria Brandl, Klaus Lindauer, Michael Meyer, Jürgen Sühnel, C–H...O and C–H...N interactions in RNA structures Theoretical Chemistry Accounts. ,vol. 101, pp. 103- 113 ,(1999) , 10.1007/S002140050415
M. C. Etter, J. C. MacDonald, J. Bernstein, Graph-set analysis of hydrogen-bond patterns in organic crystals Acta Crystallographica Section B-structural Science. ,vol. 46, pp. 256- 262 ,(1990) , 10.1107/S0108768189012929
Sunil K. Rai, Shaziya Khanam, Ranjana S. Khanna, Ashish K. Tewari, Cascade synthesis of 2-pyridones using acrylamides and ketones RSC Advances. ,vol. 4, pp. 44141- 44145 ,(2014) , 10.1039/C4RA06619G