Molecular Docking and Crystal Structure of Phthalyl Sulfacetamide 1

Vetenskap & teknik

Molecular Docking and Crystal Structure of Phthalyl Sulfacetamide

Sanjay Tailor • Urmila Patel • Kinjal Patel

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108 sidor
2014

Phthalyl Sulfacetamide is one of the active members of antibacterial sulfonamides family. The title compound, C16H14N2O6S, has been studied by method of X-Ray Crystallography with Monoclinic spce group P21/n and Z=4. Analysis of HOMO, LUMO energy and Mulliken Charge distribution suggest the presence of intermolecular and intramolecular interactions in the solid phase. The stability of the structure is more for 3M14 receptor compared to 4BUU receptors because the Docking & Glide Score of title compound gives the minimum energy value. The ORTEP diagram of 4-amino-N-(2quinoxalinyl) benzene sulfonamides showing 50% probability displacement ellipsoids with numbering scheme is shown in this book.

Författare: Sanjay Tailor, Urmila Patel, Kinjal Patel
Format: Pocket/Paperback
ISBN: 9783659634796
Språk: Engelska
Antal sidor: 108
Utgivningsdatum: 2014-11-07
Förlag: LAP Lambert Academic Publishing