الفهرس | Only 14 pages are availabe for public view |
Abstract The aim of this thesis is to synthesize some novel heterocyclic compounds starting from easily obtainable 2-cyano-N-(4-hydroxyphenyl)acetamide and 3-oxo-N-(4-sulfamoylphenyl) butanamide.Therefore, the work has been divided into four parts :Part (I): Synthesis and reactions of 2-cyano-N-(4-hydroxyphenyl)acetamide. Part (II): Synthesis of some novel azoles, pyran, azines, thiophenes and thienoazines bearing sulfonamide moiety. Part (III): Biological Evaluation Anti-microbial evaluation. Sixteen of the newly synthesized targetcompounds were evaluated for their in vitro antibacterial activity againstGram-positive andGram-negative bacteria. They were also evaluated for their in vitro antifungal potential against A.fumigatus,S.racemosum, G.candidum and Candida albicans fungal strains. The results showed that compounds 56, 58 and 59 have excellent antibacterial and antifungal activities.Part (IV): Molecular Modeling The calculation of binding energy of the synthesized compounds indicated that the stability of the formed compound. So, the biological results were in agreement with The DFT calculations of the binding energy which showed the HOMO-LUMO Energy gap, dipole moment and binding energy of compounds 56, 58 and 59. Therefore, the binding energy for the three highest antimicrobial activity compounds 56, 58 and 59 were determined. The binding energy of compounds 56 and 58 were higher than that of compound 59 indicating that the more negative is the most stable one so, compound 59 has the highest biological activity than compounds 56 and 58. |