Alaa Abadi Habeeb AL-Shamary

Objective: The aim of this study was to study some properties of the pharmaceutical compound (6-mercaptopurine) a number of theoretical methods were carried out to calculate their molecular energy, the length of the bonds and angles, in addition to their chemical forms and the binding sites with the enzyme as important anti-cancer inhibitors. Methods: The intramolecular hydrogen bond, molecular structure, and vibrational frequencies of 6- Mercaptopurine have been investigated by means of density functional (DFT and AM1) methods with 6-311++G basis. Results: The nature of these interactions, known as resonance assisted hydrogen bonds, has been discussed. As a geometrical indicator of a local aromaticity, the geometry-based HOMA index has been applied. Additionally, the linear correlation coefficients between substituent constants and selected parameters in R position have been calculated. Conclusion: The results show that the hydrogen bond strength is mainly governed by the resonance variations inside the chelate ring induced by the substituent groups. The topological properties of the electron density distributions for 6- MP H...N intra molecular bridges have been analyzed .Finally, the natural population analysis methods has been used to evaluate the hydrogen bonding interactions.

Background: 6-Mercaptopurine (6-MP) is used in the conventional chemotherapy of patients with acute lymphoblastic leukemia. Materials and Methods: Sodium dodecyl sulfate (SDS), an anionic surfactant that is commonly used to mimic hydrophobic binding environments such as cell membranes, micellization behavior of sodium dodecyl sulfate (anionic surfactant) has been studied in the presence of 6-MP (anticancer drug) at (1 × 10−5 M) concentrations with different time periods in micelle solution, studied at 37°C. Results: The results showed increase the absorbance values for the pharmaceutical compound (6-MP). Increase the absorbance values of pharmaceutical compounds with 1 × 10−2 critical micelle concentration values of surfactant increase of 6-MP concentrations in micelle solution, with decrease its concentrations in organic media, various thermo-dynamic parameters such as standard-free energy of micellization ΔG (0.6216 k J.mol−1), that have direct bearing on the consequences of such interactions at the molecular level have been calculated. Depend on Keq and slope values for reversible reactions. Conclusion: The above-calculated parameters were found to be sensitive toward the interactions prevailing in 6-MP–SDS–hexane-water systems. After fixed the experimental optimum conditions at pH 7.4, 37°C, and λmax 322 nm.

The present review included explanation of organic ligands (types of ligands, their active groups, chemical and physical properties, their solubility, physical applications, etc). Also this review included preparation methods of (types of organic ligands, azo ligands, imine ligands, chalcone ligands, formazane , inamine or mannich base ligands).

اثبت طيف الأشعة البنفسجية وجود ارتباط للمركب الدوائي l-Ascorbic Acid بشكله المختزل مع مادة برمنغنات البوتاسيوم مما يشير إلى حدوث عملية اكسده و اختزال بين المادتين من خلال إزاحة الطول الموجي للامتصاص الأعظم للمركب الدوائي (319-211) نانوميتر بما دلت القياسات الطيفية للأشعة فوق البنفسجية على حدوث هذا الارتباط من خلال النقصان في قيم معاملات الامتصاص المولاري لمركب potassiumpermanganate potassium permanganate- (l-Ascorbic Acid و كانت مساوية إلى(3200) لتر مول- 1سم-1 في حين كانت لكلl-Ascorbic Acid potassium permanganate لوحده مساوية إلى (3590) , (6120) لتر. مول- 1.سم-1 حيث كان التركيز المأخوذ مساويا إلى (10ر10-5) مولا potassium permanganate l-Ascorbic Acid على التوالي.

This study involved, synthesis of new three ligands from macro compound which contain aldamine or ketamine groups linked with azo groups in same molecule. macro ligands were synthesized by reacting of various diketone compounds such as (malonic acid, benzaldehyde derivatives..) with hydrazine compounds or methylene di amine or azo compounds via condensation reaction or azotation reaction and coupling reaction to produce three ligands [(HIP), (HAT), (HIM)] of macro ligands and their complexes with zinc ion (II). The synthesized compounds were confirmed by (I.R, UV –Vis, H.NMR, Atomic Absorption, (C.H.N) –analysis), molar conductance and melting points

Abstract: n this work, Novel ligands and their complexes with Lead ion have been synthesized by the coupling reaction of azo or di azo compounds with imine compounds, the resulting compounds named (azo-imine), which included (azo group linked with imine group at same carbon atom of Schiff base. The structures of tow ligands and complexes with Pb (II) were confirmed by several methods like [FTIR-spectra, H.NMR-spectra, (C.H.N) -analysis (UV-Vis) -spectra, Atomic absorption, molar conductance melting points.