Molecular Docking and Crystal Structure of Phthalyl Sulfacetamide

ISBN-13: 9783659634796 / Angielski / Miękka / 2014 / 108 str.

Tailor Sanjay;Patel Urmila;Patel Kinjal

Opis

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.

O autorze

Mr. Sanjay M. Tailor is presently working as a Junior Research Fellow under the supervision of Prof. U. H. Patel, Head, Department of Physics, Sardar Patel University, Vallabh Vidyanagar and pursuing Ph.D. degree. He did his M.Sc with specialization in Solid State Physics and M.Phil. in Physics from the same University.