8 articles for “Bahjat A. Saeed”

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Research ArticleOpen accessIn the author namesAn Initio Theoretical Study for the Electronic Spectra of β-ThioxoketonesRita S. Elias, Bahjat A. Saeed, Dhiyaa K. MuslemProblem statement: β-thioxoketones exist as equilibrium mixtures of the tautomeric enol and enethiol forms which interconvert very rapidly by intramolecular chelate proton transfer. Accordingly their electronic spectra in the u.v.-visible region exhibit absorption bands arising from transitions within the electronic systems involved in these tautomers. Approach: The structures of several β-thioxoketones were geometrically optimized using B3LYP/cc-pVTZ, B3LYP/6-311++G (2d,p), PM2/6-311++G(2d,p) and … …American Journal of Applied Sciences, Vol. 9, Issue 1 · 24 Nov 2011 · 7,854 accessesView PDF Cite

Research ArticleOpen accessIn the author namesTheoretically Predicted Descriptors Based Quantitative Structure Activity Relationship Study of the Activity of Acridines Against B-16 MelanomaBahjat A. Saeed, Rita S. Elias, Sadiq M-H. Ismael, Kawkab A. HussainProblem statement: The probability of success and reducing time and coast in drug discovery process could be increased on the basis of QSAR techniques. The study involves the QSAR investigation of 20 bioactive acridines that have activity against Approach: Molecular descriptors, total energy, van der Waals volume, molecular volume, HOMO energy, HOMO-LUMO energy gap, polarizability, refractivity, bond angle of C8-N9-C2 … …American Journal of Applied Sciences, Vol. 8, Issue 8 · 18 Jul 2011 · 7,689 accessesView PDF Cite

Research ArticleOpen accessIn the author namesIntrahydrogen Bonding and Transition States Between Enol and Enethiol Tautomers in β-ThioxoketonesBahjat A. Saeed, Rita S. Elias, Ebraheem Abdu MusadProblem statement: Hydrogen bonding is one of the most important concepts in chemistry because it is crucial to understand many different interactions both in gas phase and in condensed media. A particular subset is presented by the intramolecular hydrogen bonds where two ends of the same molecule interact, resulting in a ringlike structure. Approach: The study involved theoretical investigation of … …American Journal of Applied Sciences, Vol. 8, Issue 8 · 18 Jul 2011 · 7,452 accessesView PDF Cite

Research ArticleOpen accessIn the author namesThe Investigation of 1H NMR Spectra of 2,3-Dihydro-4-Pyridinones Derived from BisdemethoxycurcuminWisam A. Radhi, Bahjat A. SaeedProblem statement: The studied dihydropyridones were synthesized via microwave assisted reaction of bisdemethoxycurcumin and amines or amine acetates which is new approach in the synthesis of this important class of compounds and the deep study of their NMR spectra seems reasonable. Approach: 1H NMR spectra of dihydropyridones derived from curcumin were discussed and their structures were elucidated accordingly. Results: The … …American Journal of Applied Sciences, Vol. 7, Issue 8 · 31 Aug 2010 · 7,186 accessesView PDF Cite

Research ArticleOpen accessIn the author namesCrystal Structure of 2-(4-Hydroxy-3-Methoxyphenyl)-6- (4-Hydroxy-3-Methoxystyryl)-1-Methyl-2, 3-Dihydropyridine-4 (1H)-One by X-Ray Powder DiffractionBahjat A. Saeed, Kawkab Y. Saour, Rita S. Elias, Deng XiaodiProblem statement: The studied dihydropyridone was synthesized for the first time via the microwave assisted reaction of curcumin and methylamine and it is important to support the mechanism by the crystal structure. Approach: The crystal structure of the title compound was determined using high resolution x-ray diffraction. PowderSolve program was used to solve the structure while the refinement was done … …American Journal of Applied Sciences, Vol. 7, Issue 7 · 31 Jul 2010 · 7,160 accessesView PDF Cite

Research ArticleOpen accessIn the author namesDensity Functional Theory Based Quantitative Structure Activity Relationship Study of 2,5-Bis(1-Aziridinyl)-p-Benzoquinones with Lymphoid LeukemiaBahjat A. Saeed, Rita S. EliasProblem statement: QSAR techniques increase the probability of success and reduce time and coast in drug discovery process. The study presented QSAR investigation on 32 bioactive aziridinylbenzoquinones that have activity against lymphoid leukemia. Approach: Molecular descriptors, molecular weight, total energy, hardness, chemical potential, electrophilicity index, HOMO and LUMO energies were calculated. Initial geometry optimizations were carried out with the AM1 … …American Journal of Applied Sciences, Vol. 7, Issue 7 · 31 Jul 2010 · 7,211 accessesView PDF Cite

Research ArticleOpen accessIn the author namesAntiviral and Quantitative Structure Activity Relationship Study for Dihydropyridones Derived from CurcuminBahjat A. Saeed, Kawkab Y. Saour, Rita S. Elias, Najim A. Al-MasoudiProblem statement: Pyridones are known to have variety of biological activities like antitumor, antibacterial, anti-inflammatory and antimalarial activities. This study presents antiviral evaluation of dihydropyridones derived from curcumin, as well as curcumin for comparison. Approach: The compounds evaluated for their in vitro antiviral activities against the viruses: HIV-1, Bovin viral Diarrhea, Yellow Fever, Reovirus 1, Herpesvirus 1, Vaccinia, Vescular Stomatitis, … …American Journal of Immunology, Vol. 6, Issue 2 · 30 Jun 2010 · 8,151 accessesView PDF Cite

Research ArticleOpen accessIn the author namesAntitumor and Quantitative Structure Activity Relationship Study for Dihydropyridones Derived from CurcuminBahjat A. Saeed, Kawkab Y. Saour, Rita S. Elias et al.Problem statement: Pyridones are known to have variety of biological activities like antitumor, antibacterial, antiinflamatory and antimalarial activities. This study presented antitumor evaluation of dihydropyridones derived from curcumin, as well as curcumin for comparison. Approach: The compounds evaluated for a preliminary estimation of the in vitro tumor inhibiting activity against 11 of tumor cell lines by using Microculture Tetrazolium assay … …American Journal of Immunology, Vol. 6, Issue 1 · 31 Mar 2010 · 8,262 accessesView PDF Cite