Synthesis of benzaldehyde derivatives as anti-cancer agent (Lung cancer) using pharmacophore modelling and in vitro brine shrimp assay as preliminary identification of cytotoxic properties

• Main Author: Nor Izzati, Binti Nadir
• Format: Final Year Project Report
• Language: English
• Published: Universiti Malaysia Sarawak, UNIMAS 2012
• Subjects: QH301 Biology; QH426 Genetics; R Medicine (General)
• Online Access: http://ir.unimas.my/id/eprint/6268/8/SYNTHESIS%20OF%20BENZALDEHYDE%20DERIVATIVES%20AS%20ANTI-CANCER%20AGENT%20%28LUNG%20CANCER%29%20%28OCR%29.pdf; http://ir.unimas.my/id/eprint/6268/

Cancer is categorized as one of the dangerous diseases globally since cancer cell is rapidly developed or mutates compare to the normal cell. Rapid proliferation of cells may cause it to invade other tissues if not being removed immediately. Thus, it is necessary to find appropriate treatment for cancer patients. There are different types of cancer and this project focus on lung cancer. This project was carried out to synthesize anti cancer agent (lung cancer) from benzaldehyde and amine derivatives via Schiff base reaction. Compound that has been synthesized was then characterized by Fourier Transform Infrared Spectroscopy (FTIR), Nuclear Magnetic Resonance 1H NMR, elemental analysis, and Gas Chromatography-Mass Spectrometer (GC-MS). This project was assist by pharmacophore modelling in order to facilitate search of anti cancer agent. Pharmacophore model was developed using LigandScout 3.03 software. Six training set from established database search of anti-cancer (lung) drugs was selected to develop the pharmacophore model. The best hypothesis of the pharmacophore model consists of several chemical features including five hydrogen bond acceptor (HBA), one aromatic ring (AR) and one hydrophobic (HY). This best model was further validated with twenty test set from the synthesized compound. From the validation, the most active compound, (Compound 9) shows the highest fit value. The chemical feature of both compounds is such as hydrogen bond acceptor (HBA), hydrophobic (HY), and aromatic ring (AR). Cytotoxicity test using brine shrimp (Artemia salina) was also carried out to determine the activity of the compounds synthesized. From the result of cytotoxicity test, the lethal concentrations LC50 were calculated.