الفهرس 
contentsOnly 14 pages are availabe for public view
 |  | from | 185 |  |  |
| | | from | 185 | | |
Abstract
Thesis aims to design and synthesize some new fused and binary heterocyclic compounds through reaction of 1,2,4-triazine moiety. The behavior of 1,2,4- triazine derivatives towards various reagents play an important role in chemistry and their biological activity. Accordingly, the original work of the thesis is subdivided into two parts. Part 1: Chemical reactivity studies. This part is subdivided into two sections : Section 1: An Easy Access to Construct Some Fused 1,2,4-Triazines with Ring Junction Nitrogen Systems and Their Biological Evaluation Section 2: An efficient synthetic approach to some annulated 1,2,4-triazine skeletons and their cytotoxic activities. Part 2: Molecular Modeling & Biological activity. This part is subdivided into two sections (A) and (B). Section (A): Molecular Modeling Geometry Optimization. This part includes geometry optimization of the molecular structures for compound 30, using the DFT (density functional theory) method via cluster calculations using DMOL3 program in material studio package in order to investigate their stability of tautomer s relative to each other. Section (B): Biological activity. This section includes four types of biological screening bioassay: 1- Antioxidant activity for ABTS. The antioxidant activities of the new synthesized compounds were evaluated. Thus, comparing the activity with the control compound (L-ascorbic acid), the antioxidant potency of some was found to be high, whereas another showed moderate antioxidant activity and the rest of the tested compound showed weak activities. 2- Antitumor activity. Same Compounds were tested for potential antitumor activity against EAC in vitro. The data showed clearly that all the tested compounds showed more toxicity than the standard 5-FU in vitro studies. 3- Antimicrobial activity. The investigation of antibacterial and antifungal studies revealed that all the tested compounds were found to possess variable activity against both Gram positive, Gram negative bacterial and fungal strains. 4- In-vitro cytotoxic activities. The study of the most active compounds against cancer cell lines as MCF-7, HePG-2 and HCT 116. All of them showed significant cytotoxicity against cell line, with IC50 values ranging between 10.8 and 23.4 μM.