STRUCTURE AFFINITY RELATIONSHIP AND CHARACTERIZATION OF BENZOPORPHYRINS AS POTENT INHIBITORS OF YAP ONCOPROTEIN THROUGH IN SILICO EXPERIMENTS
Journal Title: International Journal of Pharmacy and Pharmaceutical Sciences - Year 2015, Vol 7, Issue 3
Abstract
Objective: Yes activated protein (YAP) is a transcriptional coactivator and corepressor that plays a pivotal role in cell proliferation. Amplification of the YAP gene and over expression of the YAP oncoprotein are reported in various human cancer cell lines. Hence inhibition of YAP by small molecular ligands would control cell proliferation.Methods: Autodock 4.2 was used to dock the designed ligands to the active site of YAP oncoprotein. Structure affinity relationship was carried out for 70 benzoporphyrin derivatives (SAfiR). Based on the SAfiR data, 8 benzoporphyrin derivatives were designed.Results: 8 compounds were found to potentially inhibit YAP. Verteporfin was taken as the standard with a binding energyof -6.84 kcal/Mol.The designed compounds were found to have binding energy in the range of -8.85 kcal/mol to -7.61 kcal/mol.Conclusion: Based on the substituent effects and reported pleiotropic property of verteporfin, 8 novel porphyrin derivatives were identified with potent inhibitory effect towards the YAP oncoprotein. Further virtual and high throughput approaches could potent compounds that are specifically targeted towards the YAP peptide.Â
Authors and Affiliations
M. Vijey Aanandhi, P. Samuel Gideon George
Keywords
Related Articles
- EP ID EP578975
- DOI -
- Views 54
- Downloads 0
A NEW METHOD OF SYNTHESIS OF COENZYME Q10 FROM ISOLATED SOLANESOL FROM TOBACCO WASTE
Objective: Development of new semi-synthetic route for Coenzyme Q10 from solanesol isolated from tobacco waste and structural characterization by FT-IR, 1H & [13]C NMR, LC-MS spectral data and elemental analyses.Meth...
DRUG UTILIZATION PATTERN IN PREGNANCY AMONGST INPATIENT AND OUTPATIENT GROUPS IN A SPECIALIST HOSPITAL, NORTH-WESTERN NIGERIA
Objective: Drugs prescribed in pregnancy may diffuse across the placenta to the fetus thereby posing a great risk of teratogenicity. In this study, drug utilization pattern in pregnancy amongst inpatient and outpatient g...
IN VIVO TOXICITY STUDIES OF BIOSYNTHESIZED SILVER NANOPARTICLES USING BRASSICA OLERACEAE IN ZEBRA FISH MODEL
Objective: Nanotechnology opens new applications in many fields including medicine, material science and various technologies. The aim of the current study is to synthesise nanoparticles of Brassica oleraceae by green ch...
VALPROIC ACID INDUCED TRANSAMINITIS
Valproic acid (VPA) is a broad spectrum antiepileptic agent used in the treatment of absence, myoclonic, partial and tonic clonic seizure and also used in the treatment of bipolar disorder. Although VPA, a proven anticon...
CHARACTERIZATION OF HYDRODISTILLATED POMELO PEEL OIL AND THE ENHANCEMENT OF BIOLOGICAL ACTIVITIES USING MICROEMULSION FORMULATIONS
Objective: The present study aims to investigate the compositions and biological activities of essential oil extracted from pomelo peel and develop into microemulsions.Methods: Four subspecies of pomelo including Kao-Nam...